466	930	952	0:SP3_SP2_SP3	C[6]	C	S	4:3:4:3:	4:4:1:	3:4:1:1:	C[6]-4:C[6]-3:S-4:C-3:	C[6]-4:C-4:O-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO)	C(C[6]C[6]2S)(CH3)(O)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(SC[6a]OO)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2S)(CH3)(O)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	107.3330	0.000	1	108.2430	1.988	3	108.2430	1.988	3
466	930	952	0:SP3_SP2_SP3	C[6]	C	S	4:4:4:3:	4:2:1:	4:3:1:1:	C[6,6]-4:C[6]-4:S-4:C-3:	C[6]-4:O-2:O-1:	C[6]-4:C[6a]-3:O-1:O-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO)	C(C[6]C[6,6]C[6]S)(OC)(O)	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(SC[6a]OO)(COO){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]S)(OC)(O)	S(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(O)2	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	109.8670	0.000	1	108.2430	1.988	3	108.2430	1.988	3
466	930	952	0:SP3_SP2_SP3	C[6]	C	S	4:4:4:3:	4:3:1:	3:4:1:1:	C[6]-4:C[6]-4:S-4:C-3:	C[6]-4:C-3:H-1:	C[6a]-3:C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH)	C(C[6]C[6]2S)(CHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(SC[6a]OO)(CCH){1|C<3>,3|H<1>}	C(C[6]C[6]2S)(CHH)(H)	S(C[6a]C[6a]2)(C[6]C[6]2C)(O)2	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	107.5290	0.000	1	108.2430	1.988	3	108.2430	1.988	3
466	930	956	0:SP3_SP2_SP2	C[6,6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[3x6]-4:C[6,6]-4:C-3:N-3:	C[6,6]-4:O-2:O-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH)	C(C[6,6]C[3x6]C[6,6]N)(OC)(O)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH){2|C<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]N)(OC)(O)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	104.8260	0.000	1	104.8260	0.000	1	104.8260	0.000	1	104.8260	0.000	1	106.4725	2.720	13	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6,6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[6,6]-4:N-3:O-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C(C[6,6]C[3x6]2N)(NCH)(O)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2N)(NCH)(O)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	106.5588	2.319	4	106.5588	5.377	4	106.6098	2.700	12	106.6098	2.700	12	106.4725	2.720	13	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6,6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[6,6]-4:N-3:O-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	107.4073	0.807	4	107.4073	0.652	4	106.6098	2.700	12	106.6098	2.700	12	106.4725	2.720	13	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6,6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[6,6]-4:N-3:O-1:	C[6,6]-4:C-3:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	N(C[6,6]C[3x6]2C)(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	N(C[6,6]C[3x6]2C)(CHO)(H)	105.8632	1.509	4	105.8632	2.277	4	106.6098	2.700	12	106.6098	2.700	12	106.4725	2.720	13	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	2:3:3:3:	4:2:1:	4:3:1:	O[6]-2:C[6]-3:N-3:C-3:	C[6]-4:O-2:O-1:	C[6]-4:C[6a]-3:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	C(C[6]C[6]O[6]N)(OC)(O)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	C(C[6]C[6]O[6]N)(OC)(O)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	3:4:3:3:	4:2:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6]-4:O-2:O-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C(C[6]C[6,6a]C[6]N)(OC)(O)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]N)(OC)(O)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	108.6105	5.450	2	108.6105	29.699	2	108.6105	29.699	2	108.6105	29.699	2	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	3:4:3:3:	4:3:1:	4:3:3:	C[6]-3:C[6]-4:C-3:N-3:	C[6]-4:N-3:S-1:	C[6]-4:C-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN)	C(C[6]C[6]2N)(NC[6a]H)(S)	N(C[6]C[6]2C)(COO)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN){2|C<3>,2|H<1>}	C(C[6]C[6]2N)(NC[6a]H)(S)	N(C[6]C[6]2C)(COO)(NCH)	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	110.7540	0.000	1	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:2:3:3:	4:2:1:	4:3:1:	C[6]-4:O[6]-2:N-3:C-3:	C[6]-4:O-2:O-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	C(C[6]C[6]O[6]N)(OC)(O)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]N)(OC)(O)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	116.9700	0.000	1	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:3:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH){1|S<4>,2|C<3>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	108.0195	3.323	2	108.0195	11.040	2	109.2933	10.388	3	107.9176	8.843	5	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:3:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH){1|C<3>,3|H<1>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CCO)(H)	111.8410	0.000	1	111.8410	0.000	1	109.2933	10.388	3	107.9176	8.843	5	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:3:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-3:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:N-3:O-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(NC[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(NC[6]O)(O)	105.4070	0.000	1	105.4070	0.000	1	105.4070	0.000	1	107.9176	8.843	5	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:3:3:3:	4:2:1:	4:3:1:	C[6]-4:N[6]-3:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	C(C[6]C[6]N[6]N)(OC)(O)	N(C[6]C[6]N[6]C)(CCO)(H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6]N)(OC)(O)	N(C[6]C[6]N[6]C)(CCO)(H)	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	107.9176	8.843	5	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	3:4:3:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2N)(CHH)	N(C[6]C[6]2C)(O)2	106.4760	0.366	2	106.4760	0.134	2	106.4760	0.134	2	106.4760	0.134	2	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:1:1:	4:3:1:	C[6,6]-4:C[6]-4:C-3:N-3:	C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	C(C[6]C[6,6]C[6]N)(H)2	N(C[6]C[6,6]C[6]C)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]N)(H)2	N(C[6]C[6,6]C[6]C)(CCO)(H)	103.1230	0.000	1	103.1230	0.000	1	103.1230	0.000	1	103.1230	0.000	1	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO){1|C<4>,4|C<3>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(O)2	103.7230	0.000	1	103.7230	0.000	1	104.3755	0.393	4	104.3755	0.393	4	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:1:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO){1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(O)2	104.5930	0.552	3	104.5930	0.305	3	104.3755	0.393	4	104.3755	0.393	4	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NC[6])(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C(C[6]C[6]2N)(NC[6])(O)	N(C[6]C[6]2C)(COO)(H)	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH){1|C<3>,4|H<1>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	107.2090	0.000	1	107.2090	0.000	1	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CCO)(H)	109.9057	1.274	3	109.9057	1.623	3	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<3>,4|H<1>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	108.7130	1.640	2	108.7130	2.691	2	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	110.3940	0.000	1	110.3940	0.000	1	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	C(C[6]C[6]2N)(OH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	C(C[6]C[6]2N)(OH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	103.3820	0.000	1	103.3820	0.000	1	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6a]C[6]H)2(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CHO)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(NCH){4|H<1>,5|C<3>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CHO)(H)	104.2320	0.000	1	104.2320	0.000	1	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CCO)(H)	110.2060	0.000	1	110.2060	0.000	1	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(COO)(NCH)	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(COO)(NCH){1|C<4>}	C(C[6]C[6]2N)(OC)(O)	N(C[6]C[6]2C)(CC[6]O)(H)	109.9640	2.823	2	109.9640	7.968	2	108.5412	6.979	12	108.7564	6.999	13	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:2:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(COO)(NHS)	C(C[6]C[6]2N)(OH)(O)	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(COO)(NHS){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(OH)(O)	N(C[6]C[6]2C)(SC[6a]OO)(H)	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	C(C[6]C[6]2N)(CCC)(H)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(CCC)(H)	N(C[6]C[6]2C)(CCO)(H)	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH)	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH){1|N<3>,3|C<4>,4|H<1>}	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(CCC)(H)	114.4760	0.000	1	114.4760	0.000	1	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	108.9070	0.000	1	108.9070	0.000	1	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CCO)(H)	109.8013	0.487	3	110.6202	1.397	5	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|N<3>,4|H<1>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CCO)(H)	111.8485	0.295	2	110.6202	1.397	5	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[5]O)(H)	110.2827	0.503	3	110.2827	0.253	3	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	109.1910	0.000	1	110.2005	2.038	2	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	111.2100	0.000	1	110.2005	2.038	2	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(NCH)(O)	N(C[6]C[6]2C)(COO)(H)	110.0730	2.436	3	110.0730	5.932	3	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6]O)(H)	109.5917	3.868	3	109.5917	14.958	3	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP2	C[6]	C	N	4:4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-3:H-1:	C[6](C[6]O[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(COO)(H)	112.3250	0.000	1	112.3250	0.000	1	110.4764	4.166	19	110.3391	4.324	20	109.0579	9.789	51	108.5328	9.387	64
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:3:3:	4:2:1:	4:2:1:	C[5a,6]-3:C[6]-3:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:O-2:H-1:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	C(C[6]C[5a,6]C[6]N)(OC)(O)	N(C[6]C[5a,6]C[6]C)(OC)(H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6]N)(OC)(O)	N(C[6]C[5a,6]C[6]C)(OC)(H)	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	105.4630	0.000	1	107.9929	6.655	8	107.9929	6.655	8
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:3:3:	4:4:2:	4:2:1:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-4:C-4:N-2:	C[6]-4:O-2:H-1:	C[6](C[6]N[6]O)2(CCN)(NHO)	C(C[6]C[6]2N)(CH3)(NO)	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	C(C[6]C[6]2N)(CH3)(NO)	N(C[6]C[6]2C)(OH)(H)	108.4275	0.483	2	108.4275	0.233	2	107.7867	1.349	3	107.7867	1.349	3	107.9929	6.655	8	107.9929	6.655	8
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	3:3:3:3:	4:4:2:	4:2:1:	C[6]-3:C[6]-3:C-3:N-3:	C[6]-4:C-4:N-2:	C[6]-4:O-2:H-1:	C[6](C[6]O[6]O)2(CCN)(NHO)	C(C[6]C[6]2N)(CH3)(NO)	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]O[6]O)2(CCN)(NHO){1|C<4>}	C(C[6]C[6]2N)(CH3)(NO)	N(C[6]C[6]2C)(OH)(H)	106.5050	0.000	1	106.5050	0.000	1	107.7867	1.349	3	107.7867	1.349	3	107.9929	6.655	8	107.9929	6.655	8
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	3:4:3:3:	4:2:1:	4:3:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6]-4:O-2:O-1:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C(C[6]C[6,6a]C[6]N)(OC)(O)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]C[6]N)(OC)(O)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	103.6940	0.000	1	103.6940	0.000	1	103.6940	0.000	1	103.6940	0.000	1	107.9929	6.655	8	107.9929	6.655	8
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:3:3:	4:2:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:O-2:O-1:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(COO)(NHS)	C(C[6]C[6]2N)(OH)(O)	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(COO)(NHS){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(OH)(O)	N(C[6]C[6]2C)(SC[6a]OO)(H)	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	110.0780	0.000	1	107.9929	6.655	8	107.9929	6.655	8
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:3:3:	4:3:1:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	C[6]-4:C-4:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	C(C[6]C[6]2N)(NHH)(O)	N(C[6]C[6]2C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(NHH)(O)	N(C[6]C[6]2C)(CC[6a]CH)(H)	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	110.3960	0.000	1	107.9929	6.655	8	107.9929	6.655	8
466	930	956	0:SP3_SP2_SP3	C[6]	C	N	4:4:3:3:	4:4:3:	4:4:1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:C-4:C-3:	C[6]-4:S-4:H-1:	C[6](C[6]C[6]HH)2(CCC)(NHS)	C(C[6]C[6]2N)(CH3)(CHH)	N(C[6]C[6]2C)(SC[6a]OO)(H)	C[6](C[6]C[6]HH)2(CCC)(NHS){1|C<3>,3|H<1>}	C(C[6]C[6]2N)(CH3)(CHH)	N(C[6]C[6]2C)(SC[6a]OO)(H)	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	110.9520	0.000	1	107.9929	6.655	8	107.9929	6.655	8
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	3:4:3:1:	4:2:1:	4:4:1:1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H)	C(C[6]C[5,6]S[6]H)(OC)(O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(COO)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]S[6]H)(OC)(O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.2160	0.000	1	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	3:4:3:1:	4:3:1:	4:4:1:1:	C[5,6]-3:S[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H)	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[5,6]C[5,6]C[5])(S[6]C[6]OO)(CC[6a]O)(H){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	3:4:1:1:	C[6,6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	N[6,6]-3:C[6]-4:O-1:O-1:	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H)	C(C[6]C[6,6]S[6]H)(OC)(O)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(S[6]N[6,6]OO)(COO)(H){2|C<3>,3|C<4>}	C(C[6]C[6,6]S[6]H)(OC)(O)	S[6](N[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(O)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	111.3360	0.000	1	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2	C[6](C[6]C[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){1|H<1>,1|S<2>,4|C<3>}	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[5,6]CH)(C[6]C[6]CH)(O)2{1|C<4>,1|H<1>,2|C<3>}	109.4900	1.088	2	109.4900	1.183	2	110.0254	1.809	11	110.0254	1.809	11	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H)	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	112.7400	0.000	1	112.7400	0.000	1	110.0254	1.809	11	110.0254	1.809	11	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|N<3>,3|H<1>}	110.5430	0.000	1	110.5430	0.000	1	110.0254	1.809	11	110.0254	1.809	11	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	110.3243	0.136	4	110.3808	0.030	5	110.0254	1.809	11	110.0254	1.809	11	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H)	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	110.6070	0.000	1	110.3808	0.030	5	110.0254	1.809	11	110.0254	1.809	11	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:2:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H)	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(COO)(H){3|C<3>,3|C<4>}	C(C[6]C[6]S[6]H)(OC)(O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	108.0560	0.433	2	108.0560	0.187	2	110.0254	1.809	11	110.0254	1.809	11	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2	C[6](C[6]C[6a]C[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[6]CH)(C[6]C[6]HH)(O)2{1|C<3>,1|C<4>,3|H<1>}	110.9870	0.000	1	110.9870	0.000	1	108.7953	3.658	3	108.7953	3.658	3	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[6]CH)2(O)2	C[6](C[6]C[6a]N[6]H)(S[6]C[6]OO)(CC[6a]O)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[6]CH)2(O)2{1|N<3>,2|C<3>,2|H<1>}	107.4650	0.000	1	107.4650	0.000	1	108.7953	3.658	3	108.7953	3.658	3	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:3:1:	4:3:1:	4:4:1:1:	C[6]-4:S[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H)	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[6]N[5,6]C[6a]H)(S[6]C[6]OO)(CC[6a]O)(H){3|C<3>,3|C<4>}	C(C[6]C[6]S[6]H)(C[6a]C[6a]2)(O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	107.9340	0.000	1	107.9340	0.000	1	108.7953	3.658	3	108.7953	3.658	3	109.8148	1.692	20	109.8148	1.692	20
466	930	961	0:SP3_SP2_SP3	C[6]	C	S[6]	4:4:4:3:	4:2:1:	4:4:1:1:	C[5,6]-4:S[6]-4:C-4:C-3:	C[6]-4:O-2:O-1:	C[6]-4:C[6]-4:O-1:O-1:	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO)	C(C[6]C[5,6]S[6]C)(OC)(O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2	C[6](C[5,6]N[5,6]C[5]H)(S[6]C[6]OO)(CC[6a]HH)(COO){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]S[6]C)(OC)(O)	S[6](C[6]C[5,6]CC)(C[6]C[6]CH)(O)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	109.9313	0.273	3	109.9313	0.075	3	109.9313	0.075	3	109.9313	0.075	3	109.8148	1.692	20	109.8148	1.692	20
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6]-4:C-3:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(C[6]C[6,6a]2C)(N)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(C[6]C[6,6a]2C)(N)	110.2530	1.522	2	110.3335	0.840	4	110.4922	0.756	5	110.4922	0.756	5	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6]-4:C-3:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(C[6]C[6,6a]2C)(N)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(C[6]C[6,6a]2C)(N)	110.4140	0.421	2	110.3335	0.840	4	110.4922	0.756	5	110.4922	0.756	5	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6]-4:C-3:C-3:	C[6]-4:N-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C(C[6]C[6,6a]2C)(CCH)2	C(C[6]C[6,6a]2C)(N)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCH)2	C(C[6]C[6,6a]2C)(N)	111.1270	0.000	1	111.1270	0.000	1	110.4922	0.756	5	110.4922	0.756	5	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:3:3:2:	4:2:1:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN)	C(C[6]C[6]N[6]C)(OC)(O)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]CH)(N[6]C[6]C)(COO)(CN){1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(OC)(O)	C(C[6]C[6]N[6]C)(N)	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:3:3:2:	4:3:1:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6a]-3:O-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C(C[6]C[6]N[6]C)(N)	109.1995	1.255	2	107.2954	3.503	5	107.2954	3.503	5	107.2954	3.503	5	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:3:3:2:	4:3:1:	4:1:	C[6]-4:N[6]-3:C-3:C-2:	C[6]-4:C[6a]-3:O-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C(C[6]C[6]N[6]C)(N)	C[6](C[6]C[6]HH)(N[6]C[6]C)(CC[6a]O)(CN){2|C<4>,3|H<1>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(O)	C(C[6]C[6]N[6]C)(N)	106.0260	0.419	3	107.2954	3.503	5	107.2954	3.503	5	107.2954	3.503	5	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	3:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:O-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]O)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C(C[6]C[6]2C)(N)	109.2100	0.000	1	109.2100	0.000	1	112.6290	9.848	3	112.6290	9.848	3	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	3:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(CC[6a]O)(CN){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C(C[6]C[6]2C)(N)	113.2990	0.000	1	113.2990	0.000	1	112.6290	9.848	3	112.6290	9.848	3	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	3:4:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6a]-3:C[6]-4:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN)	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]N[6]H)2(CC[6a]O)(CN){1|H<1>,5|C<3>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(O)	C(C[6]C[6]2C)(N)	115.3780	0.000	1	115.3780	0.000	1	112.6290	9.848	3	112.6290	9.848	3	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN)	C(C[6]C[6,6]C[6]C)(OC)(O)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(COO)(CN){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(O)	C(C[6]C[6,6]C[6]C)(N)	107.9390	0.000	1	107.9390	0.000	1	107.9390	0.000	1	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(CN){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	109.6040	0.000	1	109.6040	0.000	1	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6]HH)2(COO)(CN){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	107.6600	0.000	1	107.6600	0.000	1	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(COO)(CN){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	110.4910	0.000	1	110.4910	0.000	1	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)(CN){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	111.1770	0.000	1	111.1770	0.000	1	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	105.8920	0.000	1	108.1145	9.879	2	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(CN){5|C<3>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	110.3370	0.000	1	108.1145	9.879	2	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,1|H<1>,6|C<3>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	106.4470	0.000	1	108.2600	9.559	3	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	111.8300	0.000	1	108.2600	9.559	3	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:2:1:	4:1:	C[6]-4:C[6]-4:C-3:C-2:	C[6]-4:O-2:O-1:	C[6]-4:N-1:	C[6](C[6]C[6a]C[6]H)2(COO)(CN)	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	C[6](C[6]C[6a]C[6]H)2(COO)(CN){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6]2C)(OC)(O)	C(C[6]C[6]2C)(N)	106.5030	0.000	1	108.2600	9.559	3	108.8823	5.151	9	108.7880	4.668	10	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:3:1:	4:1:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:C-3:H-1:	C[6]-4:N-1:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(C[6]C[6,6]C[6]C)(N)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]CC)(CCH)(CN){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(C[6]C[6,6]C[6]C)(N)	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	110.1670	0.000	1	109.2477	6.218	27	109.2477	6.218	27
466	930	983	0:SP3_SP1_SP2	C[6]	C	C	4:4:3:2:	4:4:1:	4:2:	C[6,6]-4:C[6]-4:C-3:C-2:	C[6]-4:C-4:O-1:	C[6]-4:C-2:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC)	C(C[6]C[6,6]C[6]C)(CH3)(O)	C(C[6]C[6,6]C[6]C)(CC[6a])	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6,6a]HH)(CCO)(CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(O)	C(C[6]C[6,6]C[6]C)(CC[6a])	109.7490	1.710	2	109.7490	2.923	2	109.7490	2.923	2	109.7490	2.923	2	109.2477	6.218	27	109.2477	6.218	27
466	930	992	0:SP3_SP2_SP3	C[6]	C	P	4:4:4:3:	4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:N-2:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN)	C(C[6]C[6]2P)(NN)(H)	P(C[6]C[6]2C)(OC)2(O)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PO3)(CHN){1|C<3>,3|H<1>}	C(C[6]C[6]2P)(NN)(H)	P(C[6]C[6]2C)(OC)2(O)	106.3880	0.000	1	106.3880	0.000	1	104.3480	8.323	2	104.3480	8.323	2	104.3480	8.323	2	104.3480	8.323	2
466	930	992	0:SP3_SP2_SP3	C[6]	C	P	4:4:4:3:	4:2:1:	4:2:2:1:	C[6]-4:C[6]-4:P-4:C-3:	C[6]-4:N-2:H-1:	C[6]-4:O-2:O-2:O-1:	C[6](C[6]C[6]CH)2(PO3)(CHN)	C(C[6]C[6]2P)(NN)(H)	P(C[6]C[6]2C)(OC)2(O)	C[6](C[6]C[6]CH)2(PO3)(CHN){1|C<3>,3|H<1>}	C(C[6]C[6]2P)(NN)(H)	P(C[6]C[6]2C)(OC)2(O)	102.3080	0.000	1	102.3080	0.000	1	104.3480	8.323	2	104.3480	8.323	2	104.3480	8.323	2	104.3480	8.323	2
466	931	951	0:SP3_SP-NON_SPD5	C[6]	Si[5,5]	H	5:4:4:1:	4:4:3:2:2:	4:	Si[5,5]-5:C[6]-4:C[6]-4:H-1:	C[6]-4:N[5]-4:N[5]-3:O[5]-2:O[5]-2:	C[6]-4:	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H)	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2	H(C[6]Si[5,5]C[6]2)	C[6](Si[5,5]N[5]2O[5]2)(C[6]C[6]HH)2(H){2|C<3>,2|N<2>,4|C<4>,4|H<1>}	Si[5,5](C[6]C[6]2H)(N[5]N[5]CC)(N[5]N[5]C)(O[5]C[5])2{4|C<4>,4|H<1>}	H(C[6]Si[5,5]C[6]2)	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1
466	932	951	0:SP3_SP-NON_SP3	C[6]	O[6]	H	4:4:1:1:	4:4:1:1:	4:	C[6]-4:O[6]-4:H-1:H-1:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2	O[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	O[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]O[6]H)	109.5805	0.253	6	109.5805	0.064	6	109.5805	0.064	6	109.5805	0.064	6	109.5805	0.064	6	109.5805	0.064	6
466	934	951	0:SP3_SP-NON_SPD5	C[6]	Si[6,6]	H	5:4:1:1:	4:4:2:2:1:	4:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O[6]-2:O[6]-2:Cl-1:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl)	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	Si[6,6](C[6]N[6]HH)2(O[6]C[6])2(Cl){2|N<2>,6|C<4>}	H(C[6]Si[6,6]N[6]H)	107.8443	0.388	3	107.8443	0.150	3	107.8443	0.150	3	107.8443	0.150	3	107.7461	0.085	11	107.7461	0.085	11
466	934	951	0:SP3_SP-NON_SPD5	C[6]	Si[6,6]	H	5:4:1:1:	4:4:2:2:2:	4:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:C[6]-4:O-2:O[6]-2:O[6]-2:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	Si[6,6](C[6]N[6]HH)2(OSi[6,6])(O[6]C[6])2{2|N<2>,6|C<4>}	H(C[6]Si[6,6]N[6]H)	107.7092	0.270	8	107.7092	0.073	8	107.7092	0.073	8	107.7092	0.073	8	107.7461	0.085	11	107.7461	0.085	11
466	940	951	0:SP3_SP-NON_SP-NON	C[6]	P	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:P-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC)(H)	P(C[6]C[6]2H)(CCC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCC)	H(C[6]C[6]2P)	109.4660	0.024	2	109.4660	0.001	2	109.1218	0.166	4	109.1218	0.166	4	109.1218	0.166	4	109.1218	0.166	4
466	940	951	0:SP3_SP-NON_SP-NON	C[6]	P	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:P-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC)(H)	P(C[6]C[6]2H)(CMgC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CMgC)	H(C[6]C[6]2P)	108.7775	0.155	2	108.7775	0.024	2	109.1218	0.166	4	109.1218	0.166	4	109.1218	0.166	4	109.1218	0.166	4
466	941	951	0:SP3_SP-NON_SP2	C[6,6]	N	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[3x6]-4:N-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(NC)(H)	N(C[6,6]C[3x6]2H)(CC[6a]H)	H(C[6,6]C[3x6]2N)	C[6,6](C[3x6]C[6,6]2H)2(NC)(H){2|C<4>,8|H<1>}	N(C[6,6]C[3x6]2H)(CC[6a]H)	H(C[6,6]C[3x6]2N)	109.5830	0.000	1	109.5830	0.000	1	109.5830	0.000	1	108.8685	0.500	4	108.8685	0.500	4	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6,6]	N	H	4:4:2:1:	4:3:	4:	C[3x6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H)	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	H(C[6,6]C[3x6]C[6,6]N)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NC)(H){2|C<4>,5|H<1>}	N(C[6,6]C[3x6]C[6,6]H)(CC[6a]H)	H(C[6,6]C[3x6]C[6,6]N)	108.9765	0.319	2	108.9765	0.102	2	108.9765	0.102	2	108.8685	0.500	4	108.8685	0.500	4	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6,6]	N	H	4:4:2:1:	4:3:	4:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6,6]-4:C-3:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H)	N(C[6,6]C[6,6]2H)(CC[6a]H)	H(C[6,6]C[6,6]2N)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(NC)(H){2|C<4>,2|H<1>}	N(C[6,6]C[6,6]2H)(CC[6a]H)	H(C[6,6]C[6,6]2N)	107.9380	0.000	1	107.9380	0.000	1	107.9380	0.000	1	108.8685	0.500	4	108.8685	0.500	4	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:2:2:1:	4:4:	4:	C[6]-3:O[6]-2:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H)	N(C[6]C[6]O[6]H)(SCOO)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]C)(O[6]C[6])(NS)(H){1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(SCOO)	H(C[6]C[6]O[6]N)	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	107.3940	0.000	1	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:3:2:1:	4:2:	4:	C[6]-3:C[6]-3:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[6]O)2(NN)(H)	N(C[6]C[6]2H)(NC[5a])	H(C[6]C[6]2N)	C[6](C[6]N[6]O)2(NN)(H){1|C<3>,2|H<1>}	N(C[6]C[6]2H)(NC[5a])	H(C[6]C[6]2N)	90.0166	0.000	1	90.0166	0.000	1	90.0166	0.000	1	90.0166	0.000	1	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	N(C[6]C[6,6a]2H)(CCO)	H(C[6]C[6,6a]2N)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	N(C[6]C[6,6a]2H)(CCO)	H(C[6]C[6,6a]2N)	108.2620	0.000	1	108.2620	0.000	1	107.6815	0.674	2	107.6815	0.674	2	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:3:2:1:	4:3:	4:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	N(C[6]C[6,6a]2H)(CC[5,6]O)	H(C[6]C[6,6a]2N)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	N(C[6]C[6,6a]2H)(CC[5,6]O)	H(C[6]C[6,6a]2N)	107.1010	0.000	1	107.1010	0.000	1	107.6815	0.674	2	107.6815	0.674	2	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:3:2:1:	4:4:	4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	105.3660	0.000	1	105.3660	0.000	1	105.3660	0.000	1	105.3660	0.000	1	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	3:4:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H)	N(C[5]N[5]S[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5])(H){1|C<4>,2|C<3>,3|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.0685	0.063	4	109.0685	0.004	4	109.0685	0.004	4	109.0685	0.004	4	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:2:	4:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	N(C[6]C[6,6a]C[5,6]H)(NN)	H(C[6]C[6,6a]C[5,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N(C[6]C[6,6a]C[5,6]H)(NN)	H(C[6]C[6,6a]C[5,6]N)	109.5240	0.000	1	109.5240	0.000	1	109.5240	0.000	1	108.3220	0.796	12	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:2:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	N(C[6]C[6,6a]C[6]H)(NN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(NN)	H(C[6]C[6,6a]C[6]N)	108.1242	0.823	6	108.1242	0.678	6	108.1337	0.565	7	108.3220	0.796	12	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:2:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	N(C[6]C[6,6a]C[6]H)(NN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6]C[6,6a]C[6]H)(NN)	H(C[6]C[6,6a]C[6]N)	108.1910	0.000	1	108.1910	0.000	1	108.1337	0.565	7	108.3220	0.796	12	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:2:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	107.4335	0.349	2	107.4335	0.122	2	107.4335	0.122	2	108.3220	0.796	12	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:2:	4:	N[6,6]-3:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H)	N(C[6]N[6,6]C[6]H)(NN)	H(C[6]N[6,6]C[6]N)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(NN)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	N(C[6]N[6,6]C[6]H)(NN)	H(C[6]N[6,6]C[6]N)	109.2685	0.429	2	109.2685	0.184	2	109.2685	0.184	2	108.3220	0.796	12	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[5a,6]-3:C[6,6]-4:N-2:H-1:	C[6]-4:S-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H)	N(C[6]C[5a,6]C[6,6]H)(SCO)	H(C[6]C[5a,6]C[6,6]N)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(NS)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N(C[6]C[5a,6]C[6,6]H)(SCO)	H(C[6]C[5a,6]C[6,6]N)	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	N(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(CCO)	H(C[6]C[6,6a]C[6]N)	108.2980	0.000	1	108.2980	0.000	1	108.3422	0.214	6	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	H(C[6]C[6,6a]C[6]N)	107.6140	0.000	1	107.6140	0.000	1	108.3422	0.214	6	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	H(C[6]C[6,6a]C[6]N)	108.3120	0.426	2	108.3120	0.181	2	108.3422	0.214	6	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	H(C[6]C[6,6a]C[6]N)	108.7010	0.000	1	108.7010	0.000	1	108.3422	0.214	6	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	H(C[6]C[6,6a]C[6]N)	108.8160	0.000	1	108.8160	0.000	1	108.3422	0.214	6	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6]N)	107.4210	0.136	2	107.4210	0.018	2	107.4210	0.018	2	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:3:	4:	C[6]-3:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H)	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NC)(H){1|B<3>,1|N<2>}	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	106.4940	0.000	1	106.4940	0.000	1	106.4940	0.000	1	107.8831	0.545	10	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	108.6350	0.000	1	108.6350	0.000	1	107.6893	1.311	4	108.1634	2.107	5	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	H(C[6]C[6,6a]C[6]N)	107.6510	0.000	1	107.6510	0.000	1	107.6893	1.311	4	108.1634	2.107	5	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	N(C[6]C[6,6a]C[6]H)(SO3)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)	H(C[6]C[6,6a]C[6]N)	108.3810	0.000	1	107.2355	2.624	2	107.6893	1.311	4	108.1634	2.107	5	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	N(C[6]C[6,6a]C[6]H)(SO3)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(SO3)	H(C[6]C[6,6a]C[6]N)	106.0900	0.000	1	107.2355	2.624	2	107.6893	1.311	4	108.1634	2.107	5	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	3:4:2:1:	4:4:	4:	N[5a,6]-3:C[5,6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H)	N(C[6]N[5a,6]C[5,6]H)(SC[6a]OO)	H(C[6]N[5a,6]C[5,6]N)	C[6](N[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]N)(NS)(H){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]N[5a,6]C[5,6]H)(SC[6a]OO)	H(C[6]N[5a,6]C[5,6]N)	110.0600	0.000	1	110.0600	0.000	1	110.0600	0.000	1	108.1634	2.107	5	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	N(C[6]C[6]O[6]H)(CO)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(CO)	H(C[6]C[6]O[6]N)	110.0150	0.000	1	110.0150	0.000	1	110.0150	0.000	1	109.7023	2.381	11	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H)	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	107.2990	0.000	1	107.2990	0.000	1	109.6710	2.633	10	109.7023	2.381	11	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H)	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HN)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	108.6980	0.000	1	108.6980	0.000	1	109.6710	2.633	10	109.7023	2.381	11	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	111.8095	1.101	2	110.0891	2.247	8	109.6710	2.633	10	109.7023	2.381	11	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	110.4280	0.000	1	110.0891	2.247	8	109.6710	2.633	10	109.7023	2.381	11	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:2:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H)	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NN)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(NN)	H(C[6]C[6]O[6]N)	109.3332	1.186	5	110.0891	2.247	8	109.6710	2.633	10	109.7023	2.381	11	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H)	N(C[6]C[6]O[6]H)(COO)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HH)(O[6]C[6])(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]O[6]H)(COO)	H(C[6]C[6]O[6]N)	109.5210	0.000	1	109.5210	0.000	1	110.0746	2.565	7	110.2264	2.383	8	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]H)	H(C[6]C[6]O[6]N)	112.8770	0.000	1	112.8770	0.000	1	110.0746	2.565	7	110.2264	2.383	8	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	N(C[6]C[6]O[6]H)(CCN)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(CCN)	H(C[6]C[6]O[6]N)	110.3770	0.000	1	110.3770	0.000	1	110.0746	2.565	7	110.2264	2.383	8	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	N(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(CCO)	H(C[6]C[6]O[6]N)	108.6450	0.000	1	108.6450	0.000	1	110.0746	2.565	7	110.2264	2.383	8	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H)	N(C[6]C[6]O[6]H)(CC[6a]H)	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC)(H){1|O<2>,2|C<4>,2|H<1>}	N(C[6]C[6]O[6]H)(CC[6a]H)	H(C[6]C[6]O[6]N)	109.7007	1.529	3	109.7007	2.337	3	110.0746	2.565	7	110.2264	2.383	8	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:2:2:1:	4:3:	4:	C[6]-4:O[6]-2:N-2:H-1:	C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H)	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	H(C[6]C[6]O[6]N)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[5])(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]O[6]H)(C[5]N[5]S[5])	H(C[6]C[6]O[6]N)	111.2890	0.000	1	111.2890	0.000	1	111.2890	0.000	1	110.2264	2.383	8	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:3:2:1:	3:4:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a])(H){1|C<4>,3|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	107.3260	0.000	1	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:3:2:1:	4:2:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	110.1660	5.869	2	110.1660	34.445	2	110.1660	34.445	2	110.1660	34.445	2	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:3:2:1:	4:3:	4:	C[5,6]-4:C[6]-3:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H)	N(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Br)(NC)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N(C[6]C[5,6]C[6]H)(CCO)	H(C[6]C[5,6]C[6]N)	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.3635	0.026	2	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:3:2:1:	4:3:	4:	C[6]-4:C[6]-3:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H)	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NC)(H){1|S<4>,2|H<1>}	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	107.4770	0.000	1	107.4770	0.000	1	107.4770	0.000	1	107.3635	0.026	2	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)	H(C[6]C[6]2N)	109.5470	0.290	2	109.5470	0.084	2	109.5640	0.043	3	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)	H(C[6]C[6]2N)	109.5980	0.000	1	109.5980	0.000	1	109.5640	0.043	3	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	N(C[4]B[3,4]C[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	N(C[4]B[3,4]C[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.4550	0.057	2	109.4550	0.003	2	109.2075	0.138	6	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	N(C[4]C[4,5]N[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	N(C[4]C[4,5]N[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.6260	0.000	1	109.6260	0.000	1	109.2075	0.138	6	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	N(C[4]C[4]N[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	N(C[4]C[4]N[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.0075	0.211	2	109.0075	0.045	2	109.2075	0.138	6	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[4]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4])(H)	N(C[4]N[4]O[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4])(H){1|C<4>,4|H<1>}	N(C[4]N[4]O[4])(C[6]C[6]2H)	H(C[6]C[6]2N)	108.6940	0.000	1	108.6940	0.000	1	109.2075	0.138	6	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[4a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[4a])(H)	N(C[4a]N[4a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[4a])(H){1|C<4>,4|H<1>}	N(C[4a]N[4a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	109.2465	0.146	2	109.2465	0.021	2	109.2465	0.021	2	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.7285	0.852	2	109.7285	0.726	2	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]C[5,6]O[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]C[5,6]O[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.7400	0.000	1	109.7400	0.000	1	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,1|N<2>,3|H<1>}	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.0305	0.210	2	109.0305	0.044	2	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]C[5]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]C[5]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.7620	0.082	2	109.7620	0.007	2	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]C[5]O[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]C[5]O[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.0750	0.692	4	109.0750	0.478	4	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.6640	0.000	1	109.6640	0.000	1	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]N[5,5]Se[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]N[5,5]Se[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	108.7690	0.000	1	108.7690	0.000	1	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]N[5]O[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]N[5]O[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	110.9430	0.000	1	110.9430	0.000	1	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[5]N[5]S[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[5]N[5]S[5])(C[6]C[6]2H)	H(C[6]C[6]2N)	108.3010	0.000	1	108.3010	0.000	1	109.3839	0.540	15	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)	H(C[6]C[6]2N)	108.7330	0.493	3	108.7330	0.243	3	108.6250	0.441	5	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.2350	0.000	1	109.2350	0.000	1	108.6250	0.441	5	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[5a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5a])(H)	N(C[5a]N[5a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5a])(H){1|C<4>,4|H<1>}	N(C[5a]N[5a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	107.6910	0.000	1	107.6910	0.000	1	108.6250	0.441	5	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.5710	0.000	1	109.5710	0.000	1	109.5008	0.101	4	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	N(C[6]C[6]O[6])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	N(C[6]C[6]O[6])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.7210	0.000	1	109.7210	0.000	1	109.5008	0.101	4	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	N(C[6]N[6]P[6])(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	N(C[6]N[6]P[6])(C[6]C[6]2H)	H(C[6]C[6]2N)	109.3555	0.455	2	109.3555	0.207	2	109.5008	0.101	4	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	3:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6a])(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6a])(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6]2N)	108.0690	0.000	1	108.0690	0.000	1	108.0690	0.000	1	109.2329	0.417	36	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:1:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(NH)(H)	N(C[6]C[6]2H)(H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NH)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(H)	H(C[6]C[6]2N)	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	108.8630	0.000	1	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[3,6]-4:C[5,6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H)	N(C[6]C[3,6]C[5,6]H)(NN)	H(C[6]C[3,6]C[5,6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]O[5,6]O[5]H)(NN)(H){1|H<1>,2|C<4>}	N(C[6]C[3,6]C[5,6]H)(NN)	H(C[6]C[3,6]C[5,6]N)	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[3,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H)	N(C[6]C[3,6]C[6]H)(NN)	H(C[6]C[3,6]C[6]N)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NN)(H){1|Br<1>,1|C<4>,2|H<1>}	N(C[6]C[3,6]C[6]H)(NN)	H(C[6]C[3,6]C[6]N)	110.5360	0.513	2	110.5360	0.264	2	110.5360	0.264	2	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[5,5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H)	N(C[6]C[5,5,6]C[6]H)(NN)	H(C[6]C[5,5,6]C[6]N)	C[6](C[5,5,6]C[5,5,6]N[5]O[5])(C[6]C[6]HH)(NN)(H){1|H<1>,2|C<4>,4|C<3>}	N(C[6]C[5,5,6]C[6]H)(NN)	H(C[6]C[5,5,6]C[6]N)	109.9250	1.088	2	109.9250	1.183	2	109.9250	1.183	2	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	N(C[6]C[5,6]C[6]H)(NN)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[5,6]C[6]H)(NN)	H(C[6]C[5,6]C[6]N)	108.1580	1.568	2	108.1580	2.460	2	108.3465	2.108	4	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H)	N(C[6]C[5,6]C[6]H)(NN)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[5,6]C[6]H)(NN)	H(C[6]C[5,6]C[6]N)	108.5350	1.929	2	108.5350	3.721	2	108.3465	2.108	4	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6,6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H)	N(C[6]C[6,6]2H)(NN)	H(C[6]C[6,6]2N)	C[6](C[6,6]C[6,6]O[6]H)2(NN)(H){2|H<1>,2|O<2>,3|C<4>}	N(C[6]C[6,6]2H)(NN)	H(C[6]C[6,6]2N)	110.1364	0.068	5	110.1364	0.005	5	110.1364	0.005	5	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H)	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(NN)(H){3|H<1>,5|C<4>}	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	108.0330	0.000	1	108.0330	0.000	1	108.3144	1.761	7	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H)	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HN)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	108.2975	1.558	2	108.2975	2.427	2	108.3144	1.761	7	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){1|O<2>,1|S<2>,2|C<4>,2|H<1>}	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	110.3300	0.000	1	109.7485	0.676	2	108.3144	1.761	7	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(NN)(H){2|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	109.1670	0.000	1	109.7485	0.676	2	108.3144	1.761	7	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6,6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H)	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<4>}	N(C[6]C[6,6]C[6]H)(NN)	H(C[6]C[6,6]C[6]N)	107.0380	0.119	2	107.0380	0.014	2	108.3144	1.761	7	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CS)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CS)	H(C[6]C[6]2N)	108.4710	0.000	1	108.4710	0.000	1	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6])	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6])	H(C[6]C[6]2N)	109.3380	0.000	1	109.3380	0.000	1	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a])	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	N(C[6]C[6]2H)(CC[6a])	H(C[6]C[6]2N)	108.9610	0.000	1	108.9610	0.000	1	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CFe)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CFe)	H(C[6]C[6]2N)	108.4401	0.676	7	108.4401	0.457	7	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CMo)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CMo)	H(C[6]C[6]2N)	104.6140	0.000	1	104.6140	0.000	1	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CNi)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNi)	H(C[6]C[6]2N)	108.7340	0.000	1	108.7340	0.000	1	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CPd)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CPd)	H(C[6]C[6]2N)	108.9607	0.307	14	108.9607	0.094	14	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CPt)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CPt)	H(C[6]C[6]2N)	109.1791	0.563	9	109.1791	0.317	9	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CRe)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CRe)	H(C[6]C[6]2N)	108.3640	0.000	2	108.3640	0.000	2	108.7565	0.759	37	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[5,6]HO)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.8200	0.000	1	109.8200	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.2297	0.126	3	109.2043	0.013	4	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NN)(H){2|C<4>,3|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.1280	0.000	1	109.2043	0.013	4	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HN)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.8727	0.441	3	109.8727	0.195	3	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	111.9770	4.407	3	111.9770	19.425	3	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6]HO)2(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HO)2(NN)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	104.5324	1.938	5	104.5324	3.755	5	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NN)(H){2|C<3>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.7390	0.000	1	109.7390	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NN)(H){1|H<1>,2|C<4>,2|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.6530	0.028	2	109.6530	0.001	2	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	108.9560	0.000	1	108.9080	0.005	2	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NN)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	108.8600	0.000	1	108.9080	0.005	2	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	108.0350	0.000	1	108.0350	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(NN)(H){1|C<4>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	108.7780	0.000	1	108.7780	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NN)(H)	N(C[6]C[6]2H)(NMo)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(NMo)	H(C[6]C[6]2N)	108.1070	0.000	1	108.1070	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HH)2(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NN)(H){1|C<4>,2|H<1>,2|N<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.2530	0.282	3	109.2530	0.080	3	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NN)(H){1|C<4>,1|N<3>,3|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.0910	0.000	1	109.0910	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	110.0700	0.000	1	110.0700	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HN)2(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HN)2(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.0570	0.000	1	109.0570	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	110.0170	0.000	1	109.8814	0.273	8	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.8620	0.561	7	109.8814	0.273	8	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|N<3>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	110.1250	0.000	1	109.9475	0.063	2	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]CN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.7700	0.000	1	109.9475	0.063	2	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	107.9630	0.000	1	107.9630	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.1483	0.377	3	109.1483	0.142	3	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NN)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	108.3960	0.000	1	108.3960	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	108.9640	0.000	1	108.9640	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(NN)(H){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	105.6180	0.000	1	105.6180	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:N-2:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H)	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NN)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(NN)	H(C[6]C[6]2N)	109.4340	0.000	1	109.4340	0.000	1	108.9453	4.506	48	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:2:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:O-2:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H)	N(C[6]C[6]2H)(OS)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NO)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(OS)	H(C[6]C[6]2N)	103.4660	0.000	1	103.4660	0.000	1	103.4660	0.000	1	108.8809	2.909	107	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[5,6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H)	N(C[6]C[5,6]C[6]H)(CCS)	H(C[6]C[5,6]C[6]N)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(NC)(H){3|C<4>,4|H<1>}	N(C[6]C[5,6]C[6]H)(CCS)	H(C[6]C[5,6]C[6]N)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H)	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	108.6350	0.000	1	108.6350	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H)	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NC)(H){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[6]2H)(COO)	H(C[6]C[6]2N)	105.8200	0.000	1	105.8200	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H)	N(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2N)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2N)	107.2370	0.000	1	107.2370	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H)	N(C[6]C[6]2H)(CC[6a]2)	H(C[6]C[6]2N)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC)(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[6]2H)(CC[6a]2)	H(C[6]C[6]2N)	109.3050	0.000	1	109.3050	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CCC)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCC)	H(C[6]C[6]2N)	108.6380	0.300	6	108.6380	0.090	6	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CCN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)	H(C[6]C[6]2N)	109.0700	0.000	1	109.0700	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]O)	H(C[6]C[6]2N)	107.8690	0.000	1	107.8690	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[5a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]H)	H(C[6]C[6]2N)	109.0189	1.070	11	109.0189	1.145	11	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2N)	109.4682	0.287	11	109.4682	0.082	11	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.3788	0.758	253	109.3788	0.574	253	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]O)	H(C[6]C[6]2N)	108.6355	0.052	2	108.6355	0.003	2	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CNO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNO)	H(C[6]C[6]2N)	108.5670	0.000	1	108.5670	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H)	N(C[6]C[6]2H)(CNS)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)	H(C[6]C[6]2N)	104.4460	0.000	1	104.4460	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H)	N(C[6]C[6]2H)(CCH)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC)(H){1|C<4>,1|N<4>,1|O<2>,2|H<1>}	N(C[6]C[6]2H)(CCH)	H(C[6]C[6]2N)	108.9575	0.275	4	108.9575	0.076	4	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CCN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCN)	H(C[6]C[6]2N)	108.9045	0.179	4	108.9045	0.032	4	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CCO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCO)	H(C[6]C[6]2N)	108.3792	1.248	5	108.3792	1.558	5	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[5]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]H)	H(C[6]C[6]2N)	108.7250	0.000	1	108.7250	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[5]N)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]N)	H(C[6]C[6]2N)	109.3960	0.000	1	109.3960	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[5]Pd)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5]Pd)	H(C[6]C[6]2N)	109.0360	0.000	1	109.0360	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[5a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[5a]H)	H(C[6]C[6]2N)	109.1229	0.442	7	109.1229	0.196	7	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6]H)	H(C[6]C[6]2N)	107.9580	0.000	1	107.9580	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]C)	H(C[6]C[6]2N)	110.5507	1.636	9	110.5507	2.677	9	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,2|H<1>,2|N<2>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.1988	1.269	12	109.0807	1.760	46	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	108.8999	0.735	14	109.0807	1.760	46	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,2|C<3>,2|C<4>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	108.3740	0.000	1	109.0807	1.760	46	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|C<4>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.3384	1.753	15	109.0807	1.760	46	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|N<3>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.7880	0.000	1	109.0807	1.760	46	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){5|C<4>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	108.1633	1.776	3	109.0807	1.760	46	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CFeN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CFeN)	H(C[6]C[6]2N)	109.7080	0.000	1	109.7080	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CNN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNN)	H(C[6]C[6]2N)	109.1180	0.407	3	109.1180	0.166	3	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CNP)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNP)	H(C[6]C[6]2N)	109.6285	0.307	6	109.6285	0.094	6	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CNS)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNS)	H(C[6]C[6]2N)	108.5870	0.000	1	108.5870	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CN[5]N)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5]N)	H(C[6]C[6]2N)	109.3360	0.000	1	109.3360	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CN[5a]N)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[5a]N)	H(C[6]C[6]2N)	109.4165	0.236	8	109.4165	0.056	8	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CN[6]N)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CN[6]N)	H(C[6]C[6]2N)	108.7502	0.670	6	108.7502	0.449	6	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CNiB)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CNiB)	H(C[6]C[6]2N)	109.1690	0.000	1	109.1690	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|O<2>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.6530	0.542	2	109.6530	0.293	2	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H)	N(C[6]C[6]2H)(CN[5a]C)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NC)(H){1|C<4>,1|H<1>,1|I<1>}	N(C[6]C[6]2H)(CN[5a]C)	H(C[6]C[6]2N)	109.4940	0.000	1	109.4940	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HO)2(NC)(H)	N(C[6]C[6]2H)(CCO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCO)	H(C[6]C[6]2N)	105.4410	0.000	1	105.4410	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.5596	0.286	5	109.5596	0.082	5	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H)	N(C[6]C[6]2H)(CCC)	H(C[6]C[6]2N)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCC)	H(C[6]C[6]2N)	108.9990	0.000	1	108.9990	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]N[5,6]HH)2(NC)(H)	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	C[6](C[6]N[5,6]HH)2(NC)(H){3|C<4>}	N(C[6]C[6]2H)(CC[6a]H)	H(C[6]C[6]2N)	109.6210	0.000	1	109.6210	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-3:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H)	N(C[6]C[6]2H)(CCH)	H(C[6]C[6]2N)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NC)(H){1|C<4>}	N(C[6]C[6]2H)(CCH)	H(C[6]C[6]2N)	110.1820	0.000	1	110.1820	0.000	1	109.2710	0.889	409	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[5])(H)	N(C[6]C[6]2H)(C[5]C[5]2)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[5])(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[5]C[5]2)	H(C[6]C[6]2N)	108.6030	0.000	1	108.6030	0.000	1	108.6030	0.000	1	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	N(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2N)	109.2295	0.681	2	107.8013	6.351	3	107.8013	6.351	3	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(NC[6])(H)	N(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC[6])(H){1|N<3>,4|C<4>}	N(C[6]C[6]2H)(C[6]C[6]2)	H(C[6]C[6]2N)	104.9450	0.000	1	107.8013	6.351	3	107.8013	6.351	3	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:3:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:S-3:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H)	N(C[6]C[6]2H)(SCO)	H(C[6]C[6]2N)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SCO)	H(C[6]C[6]2N)	106.7120	0.000	1	106.7120	0.000	1	106.7120	0.000	1	109.2493	0.943	415	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CCNU)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCNU)	H(C[6]C[6]2N)	110.8640	0.000	1	110.8640	0.000	1	109.4797	0.773	6	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CCNY)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CCNY)	H(C[6]C[6]2N)	109.1920	0.000	1	109.1920	0.000	1	109.4797	0.773	6	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CTaCN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CTaCN)	H(C[6]C[6]2N)	109.8560	0.000	1	109.8560	0.000	1	109.4797	0.773	6	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NC)(H)	N(C[6]C[6]2H)(CTiNN)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NC)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(CTiNN)	H(C[6]C[6]2N)	109.3970	0.000	2	109.3970	0.000	2	109.4797	0.773	6	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HO)2(NC)(H)	N(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2N)	C[6](C[6]C[6]HO)2(NC)(H){1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6]2H)(CCHH)	H(C[6]C[6]2N)	108.1720	0.000	1	108.1720	0.000	1	109.4797	0.773	6	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H)	N(C[6]C[6]2H)(PC[6a]2N)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PC[6a]2N)	H(C[6]C[6]2N)	108.1110	0.000	1	108.1110	0.000	1	107.8708	0.098	4	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NP)(H)	N(C[6]C[6]2H)(PNNO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PNNO)	H(C[6]C[6]2N)	107.7605	0.460	2	107.7605	0.212	2	107.8708	0.098	4	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NP)(H)	N(C[6]C[6]2H)(PO3)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(PO3)	H(C[6]C[6]2N)	107.8510	0.000	1	107.8510	0.000	1	107.8708	0.098	4	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:P[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[6])(H)	N(C[6]C[6]2H)(P[6]N[6]2N)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[6])(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(P[6]N[6]2N)	H(C[6]C[6]2N)	108.0732	0.310	11	108.0732	0.096	11	108.0732	0.096	11	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NS)(H)	N(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N)	107.8190	0.000	1	107.8190	0.000	1	108.0880	4.670	3	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NS)(H)	N(C[6]C[6]2H)(SO3)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NS)(H){1|C<4>,4|H<1>}	N(C[6]C[6]2H)(SO3)	H(C[6]C[6]2N)	110.3710	0.000	1	110.3710	0.000	1	108.0880	4.670	3	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	C[6]-4:S-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H)	N(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(NS)(H){1|C<4>,4|C<3>,4|H<1>}	N(C[6]C[6]2H)(SC[6a]OO)	H(C[6]C[6]2N)	106.0740	0.000	1	106.0740	0.000	1	108.0880	4.670	3	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	951	0:SP3_SP-NON_SP2	C[6]	N	H	4:4:2:1:	4:4:	4:	C[6]-4:C[6]-4:N-2:H-1:	P[3x6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(NP[3x6])(H)	N(P[3x6]N[6,6]3)(C[6]C[6]2H)	H(C[6]C[6]2N)	C[6](C[6]C[6]HH)2(NP[3x6])(H){1|C<4>,2|H<1>,2|N<2>}	N(P[3x6]N[6,6]3)(C[6]C[6]2H)	H(C[6]C[6]2N)	109.1147	0.361	3	109.1147	0.131	3	109.1147	0.131	3	108.4731	0.988	27	109.0767	2.014	646	109.0755	2.005	650
466	941	956	0:SP3_SP2_SP2	C[6]	N	N	4:4:3:2:	4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:N-2:	C[6]-4:O-1:O-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	N(C[6]C[6]2N)(NC[6a])	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	N(C[6]C[6]2N)(NC[6a])	N(C[6]C[6]2N)(O)2	101.0960	0.000	1	101.0960	0.000	1	105.5610	39.872	2	105.5610	39.872	2	105.5610	39.872	2	105.5610	39.872	2
466	941	956	0:SP3_SP2_SP2	C[6]	N	N	4:4:3:2:	4:2:	4:1:1:	C[6]-4:C[6]-4:N-3:N-2:	C[6]-4:N-2:	C[6]-4:O-1:O-1:	C[6](C[6]N[6]HH)2(NOO)(NN)	N(C[6]C[6]2N)(NN)	N(C[6]C[6]2N)(O)2	C[6](C[6]N[6]HH)2(NOO)(NN){1|C<4>,2|N<3>}	N(C[6]C[6]2N)(NN)	N(C[6]C[6]2N)(O)2	110.0260	0.000	1	110.0260	0.000	1	105.5610	39.872	2	105.5610	39.872	2	105.5610	39.872	2	105.5610	39.872	2
466	941	983	0:SP3_SP1_SP2	C[6]	N	C	4:4:2:2:	4:2:	4:1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:N-2:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(NN)	N(C[6]C[6]2C)(NC[6])	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(NC[6])	C(C[6]C[6]2N)(N)	111.5980	0.000	1	111.5980	0.000	1	109.5160	8.669	2	109.5160	8.669	2	111.2200	10.982	5	111.2200	10.982	5
466	941	983	0:SP3_SP1_SP2	C[6]	N	C	4:4:2:2:	4:2:	4:1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:N-2:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(NN)	N(C[6]C[6]2C)(NN)	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(CN)(NN){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(NN)	C(C[6]C[6]2N)(N)	107.4340	0.000	1	107.4340	0.000	1	109.5160	8.669	2	109.5160	8.669	2	111.2200	10.982	5	111.2200	10.982	5
466	941	983	0:SP3_SP1_SP2	C[6]	N	C	4:4:2:2:	4:3:	4:1:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C-3:	C[6]-4:N-1:	C[6](C[6]C[6]HH)2(CN)(NC)	N(C[6]C[6]2C)(CC[6a]O)	C(C[6]C[6]2N)(N)	C[6](C[6]C[6]HH)2(CN)(NC){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]O)	C(C[6]C[6]2N)(N)	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	108.2590	0.000	1	111.2200	10.982	5	111.2200	10.982	5
466	941	983	0:SP3_SP1_SP2	C[6]	N	C	4:4:2:2:	4:3:	4:2:	C[6]-4:C[6]-4:C-2:N-2:	C[6]-4:C-3:	C[6]-4:C-2:	C[6](C[6]C[6]HH)2(CC)(NC)	N(C[6]C[6]2C)(CC[6a]H)	C(C[6]C[6]2N)(CC[6a])	C[6](C[6]C[6]HH)2(CC)(NC){1|C<4>,4|H<1>}	N(C[6]C[6]2C)(CC[6a]H)	C(C[6]C[6]2N)(CC[6a])	114.4045	0.634	2	114.4045	0.402	2	114.4045	0.402	2	114.4045	0.402	2	111.2200	10.982	5	111.2200	10.982	5
466	942	942	6:SP3_SP-NON_SP-NON	C[3x6]	Ga[6,6]	Ga[6,6]	3:3:3:4:	4:4:4:	4:4:4:	Ga[6,6]-3:Ga[6,6]-3:Ga[6,6]-3:C-4:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6]-4:C[3x6]-4:C-4:	C[3x6](Ga[6,6]C[3x6]C)3(CCHH)	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	C[3x6](Ga[6,6]C[3x6]C)3(CCHH){3|Ga<3>,3|C<4>}	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	103.9035	1.965	12	103.9035	3.860	12	103.9035	3.860	12	103.9035	3.860	12	103.9035	3.860	12	103.9035	3.860	12
466	942	951	0:SP3_SP-NON_SP-NON	C[6]	Ga[6]	H	3:4:1:1:	3:4:4:	4:	Ga[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2	H(C[6]Ga[6]C[6]H)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Ga<3>,4|C<3>,4|H<1>}	H(C[6]Ga[6]C[6]H)	109.5217	0.374	8	109.5217	0.140	8	109.5217	0.140	8	109.5217	0.140	8	108.8735	2.947	11	108.8735	2.947	11
466	942	951	0:SP3_SP-NON_SP-NON	C[6]	Ga[6]	H	3:4:3:1:	4:3:4:	4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6a]Ga[6]C[6])	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	H(C[6]C[6a]Ga[6]C[6])	103.8620	0.000	1	103.8620	0.000	1	103.8620	0.000	1	103.8620	0.000	1	108.8735	2.947	11	108.8735	2.947	11
466	942	951	0:SP3_SP-NON_SP-NON	C[6]	Ga[6]	H	4:3:1:1:	4:3:4:	4:	C[6]-4:Ga[6]-3:H-1:H-1:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]Ga[6]C[6]H)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	H(C[6]Ga[6]C[6]H)	108.7860	0.014	2	108.7860	0.000	2	108.7860	0.000	2	108.7860	0.000	2	108.8735	2.947	11	108.8735	2.947	11
466	943	943	6:SP3_SP-NON_SP-NON	C[6,6]	Ga[3x6]	Ga[3x6]	4:4:4:4:	4:2:2:4:	4:2:2:4:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	102.8860	0.313	2	102.8860	0.098	2	102.8860	0.098	2	102.8860	0.098	2	102.8860	0.098	2	102.8860	0.098	2
466	943	951	0:SP3_SP-NON_SP-NON	C[6,6]	Ga[6]	H	4:4:3:1:	4:4:4:4:	4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	C[6,6]-4:	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	H(C[6,6]N[6,6]Ga[6]N[6])	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	H(C[6,6]N[6,6]Ga[6]N[6])	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1
466	944	944	0:SP3_SP-NON_SP-NON	C[6]	I	I	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:I-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2	I(C[6]C[6]2I)	I(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]N[6]O)(I)2{2|C<4>,2|H<1>}	I(C[6]C[6]2I)	I(C[6]C[6]2I)	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1	109.5520	0.000	1
466	944	951	0:SP3_SP-NON_SP-NON	C[6,6]	I	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:I-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I)	I(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2I)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)(I){1|C<3>,2|C<4>,5|H<1>}	I(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2I)	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	107.9655	0.173	2	107.9655	0.173	2	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6,6]	I	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:I-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I)	I(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2I)	C[6,6](C[6,6]N[6]O[6]H)(C[6,6]C[6]2H)(H)(I){2|H<1>,4|C<3>}	I(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2I)	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	107.9655	0.173	2	107.9655	0.173	2	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I)	I(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]I)	C[6](C[6]C[6]HO)(O[6]C[6])(H)(I){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	I(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]I)	107.0180	0.000	2	107.0180	0.000	2	107.0180	0.000	2	107.0180	0.000	2	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I)	I(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]I)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[3,5,6]O)(H)(I){1|H<1>,1|O<1>,8|C<4>}	I(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]I)	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	108.0105	3.043	2	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)(I){1|C<3>,2|C<4>,2|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	109.2440	0.000	1	109.2440	0.000	1	109.2440	0.000	1	108.0105	3.043	2	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I)	I(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]I)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]CH)(H)(I){1|H<1>,5|C<3>}	I(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]I)	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]CH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	108.4420	0.000	1	108.4420	0.000	1	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	107.6096	0.237	5	107.6096	0.056	5	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|H<1>,3|C<4>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	107.9500	0.000	1	108.1543	0.031	3	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)(I){3|C<4>,3|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	108.2565	0.018	2	108.1543	0.031	3	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)(I){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	107.8597	0.511	3	107.8597	0.262	3	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]C[6,6a]O[5]2)(C[6]C[6]HH)(H)(I){2|C<3>,2|C<4>,2|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	108.9830	0.000	1	108.9830	0.000	1	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6]C[6a]C[6]H)(H)(I){2|H<1>,3|C<3>,4|C<4>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	109.1710	0.000	1	109.1710	0.000	1	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	107.9566	0.555	7	107.9890	0.278	9	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,4|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	108.1025	0.586	2	107.9890	0.278	9	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,3|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	106.4410	0.000	1	107.7210	3.277	2	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)(I){1|C<3>,3|C<4>,4|H<1>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	109.0010	0.000	1	107.7210	3.277	2	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	108.9095	0.315	2	108.9095	0.099	2	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I)	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(H)(I){1|H<1>,1|O<2>,2|C<4>}	I(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]I)	107.9857	0.190	3	107.9857	0.036	3	108.0602	0.400	30	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I)	I(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]I)	C[6](C[6,6]C[4,6,6]O[6]H)(C[6]C[6]HH)(H)(I){1|C<3>,2|C<4>,3|H<1>}	I(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]I)	107.9725	0.426	2	107.9725	0.182	2	107.5490	0.209	5	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I)	I(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]I)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)(I){2|C<4>,4|H<1>}	I(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]I)	107.2667	0.168	3	107.2667	0.028	3	107.5490	0.209	5	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)(I){5|C<4>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.6420	0.000	1	108.6420	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	106.9922	0.223	4	106.9922	0.050	4	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)(I){1|O<2>,4|C<4>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.4870	0.254	3	108.4870	0.065	3	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)(I){4|C<4>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.4530	0.372	2	108.4530	0.138	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)(I){2|C<3>,2|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.1320	0.000	1	108.1320	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)(I){2|C<3>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.3310	0.000	1	107.3310	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)(I){2|C<4>,3|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	106.6760	0.000	1	106.6760	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)(I){1|C<4>,1|O<1>,2|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.7250	0.000	1	107.7250	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)(I){1|C<4>,4|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	106.9230	0.000	1	106.9230	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)(I){1|C<4>,4|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	109.1840	0.202	2	109.1840	0.041	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)(I){1|C<4>,1|N<3>,3|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.9375	0.059	2	107.9375	0.003	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)(I){1|C<3>,1|C<4>,1|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.4240	0.000	1	107.4240	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,1|N<3>,3|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.4460	0.000	1	108.4405	0.000	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HH)2(H)(I){1|C<4>,4|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.4350	0.000	1	108.4405	0.000	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)(I){1|C<3>,2|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.2290	0.000	1	108.2290	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)(I){2|C<4>,2|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	106.7695	0.192	2	106.7695	0.037	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)(I){1|C<4>,1|H<1>,1|N<2>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.5350	0.000	1	107.5350	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)(I){1|C<4>,1|H<1>,1|O<2>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	109.0500	0.000	1	109.0500	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6]HO)2(H)(I){1|Br<1>,1|C<3>,1|H<1>,1|O<2>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.6280	0.260	4	107.6280	0.067	4	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)(I){1|C<4>,2|C<3>,2|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	107.2630	0.000	1	107.2630	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)(I){1|S<4>,2|C<3>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	108.0390	0.000	1	108.0390	0.000	1	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	944	951	0:SP3_SP-NON_SP-NON	C[6]	I	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:I-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I)	I(C[6]C[6]2H)	H(C[6]C[6]2I)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)(I){1|C<3>,1|H<1>}	I(C[6]C[6]2H)	H(C[6]C[6]2I)	104.2657	6.115	2	104.2657	37.399	2	107.6289	2.331	35	107.8334	1.404	71	107.8164	1.388	75	107.8202	1.354	77
466	945	951	0:SP3_SP-NON_SP3	C[6,6]	P	H	3:3:3:1:	4:3:3:	4:	N[3x6]-3:P[3x6]-3:P-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H)	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	H(C[6,6]N[3x6]P[3x6]P)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H){2|N<3>,8|H<1>}	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	H(C[6,6]N[3x6]P[3x6]P)	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.2780	0.000	1	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:P-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	P(C[6a]C[6a]2)2(C[6]N[6]2H)	H(C[6]N[6]2P)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	P(C[6a]C[6a]2)2(C[6]N[6]2H)	H(C[6]N[6]2P)	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.7980	0.000	1	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	3:4:4:1:	5:4:4:	4:	P-3:C[6]-4:C[6]-4:H-1:	C[3x3,4,3x5,14x6]-5:C[6]-4:C[6]-4:	C[6]-4:	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	H(C[6]C[6]2P)	106.6300	2.930	4	106.6300	8.585	4	106.6300	8.585	4	106.6300	8.585	4	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]2)(H)	P(C[6a]C[6a]2)2(C[6]C[6]2H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]2)(H){1|C<4>,2|H<1>,2|P<3>}	P(C[6a]C[6a]2)2(C[6]C[6]2H)	H(C[6]C[6]2P)	109.2173	0.136	3	109.2173	0.018	3	109.2173	0.018	3	109.2173	0.018	3	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	H(C[6]C[6]2P)	106.9440	2.123	2	106.9440	4.506	2	106.9440	4.506	2	107.4681	3.451	42	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	H(C[6]C[6]2P)	107.4315	1.746	2	107.4315	3.048	2	107.4315	3.048	2	107.4681	3.451	42	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2)(H)	P(C[6]C[6]N[6])(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	P(C[6]C[6]N[6])(C[6]C[6]2H)2	H(C[6]C[6]2P)	107.6084	1.763	8	107.6084	3.108	8	107.6084	3.108	8	107.4681	3.451	42	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2H)2	H(C[6]C[6]2P)	107.4201	2.022	28	107.4201	4.090	28	107.4681	3.844	30	107.4681	3.451	42	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	3:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	H(C[6]C[6]2P)	108.1405	0.296	2	108.1405	0.088	2	107.4681	3.844	30	107.4681	3.451	42	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:2:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-2:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCH)(H)	P(C[6]C[6]2H)(CW)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CW)(H)	H(C[6]C[6]2P)	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3300	0.000	1	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:2:2:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(PCC)(H)	P(C[6]C[6]2H)(CC)(CW)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC)(CW)	H(C[6]C[6]2P)	105.9780	0.000	1	105.9780	0.000	1	106.9950	2.069	2	106.9950	2.069	2	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:2:2:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-2:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(PCC)(H)	P(C[6]C[6]2H)(CW)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CW)2	H(C[6]C[6]2P)	108.0120	0.000	1	108.0120	0.000	1	106.9950	2.069	2	106.9950	2.069	2	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:3:1:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-3:H-1:	C[6]-4:	C[6](C[6]C[6]HH)2(PCH)(H)	P(C[6]C[6]2H)(CCN)(H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCN)(H)	H(C[6]C[6]2P)	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	105.5990	0.000	1	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:3:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:P-3:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PPP)(H)	P(C[6]C[6]2H)(PC[6]P)(PC3)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]P)(PC3)	H(C[6]C[6]2P)	109.6495	0.763	2	109.6495	0.582	2	109.6495	0.582	2	109.6495	0.582	2	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:2:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-2:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC)	H(C[6]C[6]2P)	107.7630	1.843	2	107.7630	3.396	2	107.7630	3.396	2	107.5255	1.820	4	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:2:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:Se-2:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	P(C[6]C[6]2H)2(SeGe[6])	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(SeGe[6])	H(C[6]C[6]2P)	107.2880	1.356	2	107.2880	1.839	2	107.2880	1.839	2	107.5255	1.820	4	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:B-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BBrN)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BBrN)	H(C[6]C[6]2P)	108.9930	0.074	2	108.9930	0.005	2	107.7088	3.887	10	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:B-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BC[6a]2)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BC[6a]2)	H(C[6]C[6]2P)	104.4545	1.397	2	104.4545	1.950	2	107.7088	3.887	10	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:B-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BNP)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BNP)	H(C[6]C[6]2P)	108.3655	1.092	6	108.3655	1.192	6	107.7088	3.887	10	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CCH)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCH)	H(C[6]C[6]2P)	107.6320	1.942	2	107.6320	3.770	2	107.7072	2.989	20	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]C)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]C)	H(C[6]C[6]2P)	107.4520	2.940	2	107.4520	8.644	2	107.7072	2.989	20	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]P)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]P)	H(C[6]C[6]2P)	107.5944	1.841	8	107.5944	3.390	8	107.7072	2.989	20	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CNN)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CNN)	H(C[6]C[6]2P)	107.9026	1.695	8	107.9026	2.872	8	107.7072	2.989	20	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[6]C[6]2H)2(C[5]N[5]2)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(C[5]N[5]2)	H(C[6]C[6]2P)	109.3635	0.343	4	109.3635	0.117	4	109.3635	0.117	4	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:Ge[6]-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	P(C[6]C[6]2H)2(Ge[6]N[6]2)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(Ge[6]N[6]2)	H(C[6]C[6]2P)	106.4740	1.902	2	106.4740	3.618	2	106.4740	3.618	2	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	P(C[6]C[6]2H)2(NCP)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(NCP)	H(C[6]C[6]2P)	107.2957	2.175	4	107.2957	4.729	4	107.6315	2.468	10	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	P(C[6]C[6]2H)2(NC[6a]2)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(NC[6a]2)	H(C[6]C[6]2P)	109.0510	0.233	2	109.0510	0.054	2	107.6315	2.468	10	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:N-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]N)(H)	P(C[6]C[6]2H)2(NC[6a]H)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(NC[6a]H)	H(C[6]C[6]2P)	107.2575	0.989	4	107.2575	0.979	4	107.6315	2.468	10	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PC[6]2)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PC[6]2)	H(C[6]C[6]2P)	107.8227	1.606	4	107.8227	2.578	4	107.3042	4.534	14	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PC[6a]P)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PC[6a]P)	H(C[6]C[6]2P)	106.7323	2.758	6	106.7323	7.609	6	107.3042	4.534	14	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PN[5a]P)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PN[5a]P)	H(C[6]C[6]2P)	107.6435	1.795	4	107.6435	3.222	4	107.3042	4.534	14	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:3:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:P-4:C-3:	C[6]-4:	C[6](C[6]C[6]HH)2(PCP)(H)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCP)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]CO)(CCC)	H(C[6]C[6]2P)	109.1690	0.542	3	109.1690	0.294	3	109.1690	0.294	3	107.7415	3.229	63	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	B-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(BC[6a]2N[6])(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	P(BC[6a]2N[6])(C[6]C[6]2H)2	H(C[6]C[6]2P)	107.6020	2.653	2	107.6020	7.039	2	107.6020	7.039	2	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5]2Cr)(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	P(C[5]C[5]2Cr)(C[6]C[6]2H)2	H(C[6]C[6]2P)	107.4070	2.550	2	107.4070	6.502	2	107.1854	2.847	16	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5]2Fe)(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	P(C[5]C[5]2Fe)(C[6]C[6]2H)2	H(C[6]C[6]2P)	106.7240	1.613	8	106.7240	2.601	8	107.1854	2.847	16	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5]2Zr)(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	P(C[5]C[5]2Zr)(C[6]C[6]2H)2	H(C[6]C[6]2P)	107.7267	1.699	6	107.7267	2.886	6	107.1854	2.847	16	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	P(C[6]C[6]2H)(CC[5]HH)2	H(C[6]C[6]2P)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	P(C[6]C[6]2H)(CC[5]HH)2	H(C[6]C[6]2P)	105.5970	0.000	1	105.5970	0.000	1	106.5593	1.672	3	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PCC)(H)	P(C[6]C[6]2H)(CCHH)(CHHN)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CCHH)(CHHN)	H(C[6]C[6]2P)	106.0520	0.000	1	106.0520	0.000	1	106.5593	1.672	3	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PCC)(H)	P(C[6]C[6]2H)(CC[5]CH)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(CC[5]CH)2	H(C[6]C[6]2P)	108.0290	0.000	1	108.0290	0.000	1	106.5593	1.672	3	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:B-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BHHP)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(BHHP)	H(C[6]C[6]2P)	107.1985	0.375	4	107.1985	0.140	4	107.1985	0.140	4	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[5]CC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[5]CC)	H(C[6]C[6]2P)	105.0550	0.000	1	105.0550	0.000	1	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[5]CH)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[5]CH)	H(C[6]C[6]2P)	104.8416	1.048	8	104.8416	1.098	8	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]CH)	H(C[6]C[6]2P)	104.9030	0.132	2	104.9030	0.017	2	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]MnC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CC[6a]MnC)	H(C[6]C[6]2P)	106.8910	2.875	2	106.8910	8.266	2	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CCrCC)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CCrCC)	H(C[6]C[6]2P)	107.7175	2.090	2	107.7175	4.366	2	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CHHP)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CHHP)	H(C[6]C[6]2P)	106.4162	2.864	6	106.4162	8.202	6	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CMgNN)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CMgNN)	H(C[6]C[6]2P)	109.2045	0.097	2	109.2045	0.009	2	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CN[5a]HH)	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(CN[5a]HH)	H(C[6]C[6]2P)	107.1222	2.423	4	107.1222	5.870	4	106.2299	4.834	27	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PC[6]2)(H)	P(C[6]C[6]2H)3	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)3	H(C[6]C[6]2P)	106.9476	1.066	9	106.9476	1.136	9	106.9476	1.136	9	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:P-4:P-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PPP)(H)	P(C[6]C[6]2H)(PC3)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC3)2	H(C[6]C[6]2P)	106.4220	0.000	1	106.4220	0.000	1	106.4220	0.000	1	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	945	951	0:SP3_SP-NON_SP3	C[6]	P	H	4:4:3:1:	4:4:4:	4:	C[6]-4:C[6]-4:P-3:H-1:	Ge[6]-4:C[6]-4:C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	H(C[6]C[6]2P)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	H(C[6]C[6]2P)	106.1317	1.572	4	106.1317	2.471	4	106.1317	2.471	4	106.6716	3.230	66	107.3015	3.471	189	107.3014	3.452	190
466	948	951	0:SP3_SP-NON_SP-NON	C[6]	H[6]	H	4:2:1:1:	4:4:	4:	C[6,6]-4:H[6]-2:H-1:H-1:	C[3x4,6]-4:C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2	H[6](C[3x4,6]C[4,4,6,6]C[4,4,6]H[4,4])(C[6]C[6,6]HH)	H(C[6]C[6,6]H[6]H)	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H[6](C[3x4,6]C[4,4,6,6]C[4,4,6]H[4,4])(C[6]C[6,6]HH)	H(C[6]C[6,6]H[6]H)	109.1790	0.103	2	109.1790	0.011	2	109.1790	0.011	2	109.1790	0.011	2	109.1790	0.011	2	109.1790	0.011	2
466	951	951	0:SP3_SP-NON_SP-NON	C[3x6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2	H(C[3x6]C[4,3x6]C[4x6]H)	H(C[3x6]C[4,3x6]C[4x6]H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]F)(C[4x6]C[3x6]C[6,6]H)(H)2{1|C<3>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	H(C[3x6]C[4,3x6]C[4x6]H)	H(C[3x6]C[4,3x6]C[4x6]H)	109.1805	1.085	2	109.1805	1.178	2	108.7433	1.162	3	108.8734	0.364	9	108.8734	0.364	9	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[3x6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6]-4:	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2	H(C[3x6]C[4,3x6]C[4x6]H)	H(C[3x6]C[4,3x6]C[4x6]H)	C[3x6](C[4,3x6]C[4,3x6]C[4,6]H)(C[4x6]C[3x6]C[6,6]F)(H)2{1|C<3>,1|C<4>,1|O<1>,2|F<1>,2|H<1>}	H(C[3x6]C[4,3x6]C[4x6]H)	H(C[3x6]C[4,3x6]C[4x6]H)	107.8690	0.000	1	107.8690	0.000	1	108.7433	1.162	3	108.8734	0.364	9	108.8734	0.364	9	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[3x6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2	H(C[3x6]C[4x6]2H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4,3x6]C[6,6]H)2(H)2{4|C<4>,5|H<1>}	H(C[3x6]C[4x6]2H)	H(C[3x6]C[4x6]2H)	108.9983	0.428	3	108.9983	0.183	3	108.9385	0.102	6	108.8734	0.364	9	108.8734	0.364	9	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[3x6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[3x6]C[4x6]2H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[4x6]2H)	H(C[3x6]C[4x6]2H)	108.8560	0.345	2	108.8787	0.061	3	108.9385	0.102	6	108.8734	0.364	9	108.8734	0.364	9	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[3x6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[3x6]-4:	C[3x6]-4:	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2	H(C[3x6]C[4x6]2H)	H(C[3x6]C[4x6]2H)	C[3x6](C[4x6]C[4x6]C[6,6]H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[4x6]2H)	H(C[3x6]C[4x6]2H)	108.9240	0.000	1	108.8787	0.061	3	108.9385	0.102	6	108.8734	0.364	9	108.8734	0.364	9	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:2:1:1:	4:	4:	N[3x6]-3:C[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2)(C[6,6]N[3x6])(H)2{2|C<2>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	107.3160	3.274	4	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:2:1:1:	4:	4:	N[3x6]-3:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2	H(C[6,6]N[3x6]O[6,6]H)	H(C[6,6]N[3x6]O[6,6]H)	C[6,6](N[3x6]C[6,6]2)(O[6,6]C[4x6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]N[3x6]O[6,6]H)	H(C[6,6]N[3x6]O[6,6]H)	107.8250	0.000	1	107.8250	0.000	1	107.8250	0.000	1	107.3160	3.274	4	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:2:1:1:	4:	4:	P[3x6]-3:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2)(O[6,6]P[3x6])(H)2	H(C[6,6]O[6,6]P[3x6]H)	H(C[6,6]O[6,6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	H(C[6,6]O[6,6]P[3x6]H)	H(C[6,6]O[6,6]P[3x6]H)	106.0280	1.404	2	106.0280	1.972	2	106.0280	1.972	2	107.3160	3.274	4	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	As[3x6]-3:As[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](As[3x6]C[6,6]O[6,6])(As[3x6]O[6,6]2)(H)2	H(C[6,6]As[3x6]2H)	H(C[6,6]As[3x6]2H)	C[6,6](As[3x6]C[6,6]O[6,6])(As[3x6]O[6,6]2)(H)2{2|As<3>,2|H<1>}	H(C[6,6]As[3x6]2H)	H(C[6,6]As[3x6]2H)	109.5620	0.397	6	109.5620	0.157	6	109.4937	0.117	9	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	As[3x6]-3:As[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](As[3x6]C[6,6]O[6,6])2(H)2	H(C[6,6]As[3x6]2H)	H(C[6,6]As[3x6]2H)	C[6,6](As[3x6]C[6,6]O[6,6])2(H)2{2|As<3>,4|H<1>}	H(C[6,6]As[3x6]2H)	H(C[6,6]As[3x6]2H)	109.3570	0.184	3	109.3570	0.034	3	109.4937	0.117	9	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[3x6]-3:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2)2(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.5420	0.000	1	109.5420	0.000	1	109.5420	0.000	1	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0560	0.000	1	108.0560	0.000	1	108.8962	3.360	4	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9870	0.000	1	107.9425	0.004	2	108.8962	3.360	4	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8980	0.000	1	107.9425	0.004	2	108.8962	3.360	4	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]H)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	111.6440	0.000	1	111.6440	0.000	1	108.8962	3.360	4	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	H(C[6,6]C[6,6]N[4x6]H)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	H(C[6,6]C[6,6]N[4x6]H)	108.0500	0.000	1	108.0323	0.001	3	108.0323	0.001	3	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[4x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2	H(C[6,6]C[6,6]N[4x6]H)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](C[6,6]C[3x6]C)(N[4x6]C[3x6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	H(C[6,6]C[6,6]N[4x6]H)	108.0235	0.042	2	108.0323	0.001	3	108.0323	0.001	3	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<3>,1|N<3>,1|P<4>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.5830	0.000	1	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<3>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.5713	0.107	7	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6283	0.061	6	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|C<4>,1|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.7390	0.101	5	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.9780	0.901	105	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6144	0.049	5	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	103.8685	5.127	2	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6804	1.134	219	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<3>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.2220	0.000	1	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<3>,2|P<4>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.3837	2.349	4	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.7907	2.621	13	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.5830	0.013	2	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.9395	2.462	311	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2)2(H)2{2|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8330	0.000	1	108.2929	3.888	682	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]S[6,6])(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,2|O<1>,6|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6382	0.086	6	107.6382	0.007	6	108.2872	3.858	688	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.5084	0.041	9	108.1118	4.704	12	108.1118	4.704	12	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{1|P<3>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.3850	0.006	2	108.1118	4.704	12	108.1118	4.704	12	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[3x6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	114.9960	0.000	1	108.1118	4.704	12	108.1118	4.704	12	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5a,6]C[6])2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[5a,6]C[6])2(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	107.7580	0.000	1	107.7580	0.000	1	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	107.8210	0.000	1	108.2446	8.666	61	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	107.8110	0.059	2	108.2446	8.666	61	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6])2(H)2{4|C<3>,4|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	108.2668	3.019	58	108.2446	8.666	61	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{1|N<4>,1|P<4>,8|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	107.8550	0.000	1	107.6100	0.311	7	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	108.0383	0.064	3	107.6100	0.311	7	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|P<4>,8|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	107.3785	0.036	2	107.6100	0.311	7	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2)2(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2)2(H)2{2|S<2>,8|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	106.5430	0.000	1	107.6100	0.311	7	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,2|O<1>,6|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	110.1745	0.327	2	111.7383	7.390	3	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]S[6])(N[6,6]C[6]2)(H)2{1|C<4>,1|O<2>,2|O<1>,6|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	114.8660	0.000	1	111.7383	7.390	3	108.3217	8.110	72	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:P[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2	H(C[6,6]N[6,6]P[3x6]H)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]N[6,6]P[3x6]H)	H(C[6,6]N[6,6]P[3x6]H)	107.9397	0.034	3	107.9397	0.001	3	107.9397	0.001	3	108.3038	4.179	792	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6])(C[3x6]C[6,6]2C)(H)2{4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3485	0.156	2	108.3485	0.024	2	108.3485	0.024	2	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.5420	0.000	1	108.5420	0.000	1	108.5930	0.005	2	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.6440	0.000	1	108.6440	0.000	1	108.5930	0.005	2	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6,6a]C[4,6,6]H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	108.1283	0.363	12	108.1283	0.132	12	108.1462	0.876	18	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[6,6,6a]C[4,6,6]H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6,6a]C[4,6,6]H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	108.1818	1.639	6	108.1818	2.686	6	108.1462	0.876	18	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4677	0.039	3	108.5413	0.019	7	108.5413	0.019	7	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5965	0.166	4	108.5413	0.019	7	108.5413	0.019	7	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3,6,6]Nb[3,3,3x6]C[3,3])(C[3x6]C[3x6]C[6,6]C)(H)2	H(C[6,6]N[3,6,6]C[3x6]H)	H(C[6,6]N[3,6,6]C[3x6]H)	C[6,6](N[3,6,6]Nb[3,3,3x6]C[3,3])(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|N<3>}	H(C[6,6]N[3,6,6]C[3x6]H)	H(C[6,6]N[3,6,6]C[3x6]H)	109.4808	0.095	4	109.4808	0.009	4	109.4808	0.009	4	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.2450	0.000	1	108.2450	0.000	1	108.0703	0.034	3	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]Ga[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.0870	0.000	1	108.0870	0.000	1	108.0703	0.034	3	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](N[3x6]In[6x6]C[6])(C[3x6]C[6,6]2C)(H)2{1|C<3>,2|N<3>,3|O<2>,5|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	107.8790	0.000	1	107.8790	0.000	1	108.0703	0.034	3	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[5,4x6]C[6,6])(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0583	0.086	4	108.0583	0.007	4	107.9990	0.013	6	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8805	0.028	2	107.8805	0.001	2	107.9990	0.013	6	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Pd)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Pd)(H)2{2|N<3>,2|O<1>,6|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.7740	0.064	2	107.7740	0.004	2	107.8350	0.004	7	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2{1|N<3>,1|N<4>,2|O<1>,6|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8800	0.000	1	107.8594	0.003	5	107.8350	0.004	7	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]S[6,6])(P[3x6]C[6,6]2Rh)(H)2{2|N<3>,2|O<1>,6|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8543	0.062	4	107.8594	0.003	5	107.8350	0.004	7	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]N[5,6,6]C[3x6]H)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	H(C[6,6]N[5,6,6]C[3x6]H)	107.8830	0.038	3	107.8830	0.001	3	108.3710	0.519	5	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]N[5,6,6]C[3x6]H)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	H(C[6,6]N[5,6,6]C[3x6]H)	109.4830	0.000	1	109.4830	0.000	1	108.3710	0.519	5	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2	H(C[6,6]N[5,6,6]C[3x6]H)	H(C[6,6]N[5,6,6]C[3x6]H)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]N[5,6,6]C[3x6]H)	H(C[6,6]N[5,6,6]C[3x6]H)	108.7230	0.000	1	108.7230	0.000	1	108.3710	0.519	5	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2	H(C[6,6]N[5,6,6]C[6,6]H)	H(C[6,6]N[5,6,6]C[6,6]H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6,6]C[6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]N[5,6,6]C[6,6]H)	H(C[6,6]N[5,6,6]C[6,6]H)	108.2113	0.093	12	108.2113	0.009	12	108.2113	0.009	12	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](N[6,6]C[5,3x6]C)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.6720	0.034	2	108.6720	0.001	2	108.6720	0.001	2	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|C<4>,1|N<2>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.0300	0.000	1	108.0300	0.000	1	107.9757	0.008	6	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	107.9900	0.000	1	108.0293	0.002	3	107.9757	0.008	6	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]C[6]2H)(H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.0490	0.044	2	108.0293	0.002	3	107.9757	0.008	6	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6,6]Si[6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	107.8680	0.011	2	107.8680	0.000	2	107.9757	0.008	6	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2	H(C[6,6]N[6,6]P[3x6]H)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](N[6,6]P[3x6]C[6a])(P[3x6]C[6,6]2Mo)(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]N[6,6]P[3x6]H)	H(C[6,6]N[6,6]P[3x6]H)	107.8159	0.149	7	107.8159	0.022	7	107.8159	0.022	7	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	3:4:1:1:	4:	4:	P[3x6]-3:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]P[3x6]H)	H(C[6,6]C[3x6]P[3x6]H)	C[6,6](P[3x6]C[4x6]C[6])(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]P[3x6]H)	H(C[6,6]C[3x6]P[3x6]H)	107.8835	0.001	2	107.8835	0.000	2	107.8835	0.000	2	108.2090	0.350	83	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.5490	0.000	1	108.5490	0.000	1	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3,6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	111.4673	1.308	3	111.4673	1.712	3	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	107.9255	0.008	2	107.9255	0.000	2	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(O[6,6]C[4,5,6,6])(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.6380	0.000	1	108.6380	0.000	1	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|C<4>,1|F<1>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	107.8173	2.820	3	107.9017	5.330	4	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(O[6,6]C[3x6])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.1550	0.000	1	107.9017	5.330	4	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(O[6,6]C[5,3x6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.3130	0.000	1	108.3130	0.000	1	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(O[6,6]C[3x6])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	107.9320	0.000	1	107.9320	0.000	1	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]As[3x6])(H)2{2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	107.8690	0.043	6	107.8690	0.002	6	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.4968	1.113	5	108.4027	0.852	7	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]C[3x6])(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.1675	0.021	2	108.4027	0.852	7	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Fe<8>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.0517	0.078	11	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Mo<6>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.0862	0.075	9	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|O<1>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.1777	0.062	15	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Rh<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.1017	0.040	3	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<6>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.0327	0.120	8	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|Ru<9>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.0430	0.091	6	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|S<1>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.0085	0.098	2	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{1|W<7>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.1340	0.105	3	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(O[6,6]P[3x6])(H)2{2|O<2>,4|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.4822	2.216	5	108.1236	0.342	62	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.9940	0.000	2	108.9940	0.000	2	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]O[6,6]H)	H(C[6,6]C[3x6]O[6,6]H)	108.1570	0.000	1	108.1570	0.000	1	108.2542	0.896	91	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	H(C[6,6]C[4,6,6]O[6,6]H)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]O[6,6]H)	H(C[6,6]C[4,6,6]O[6,6]H)	108.0930	0.000	1	107.9933	0.007	4	107.9933	0.007	4	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	H(C[6,6]C[4,6,6]O[6,6]H)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[4,6,6]O[6,6]H)	H(C[6,6]C[4,6,6]O[6,6]H)	107.9690	0.000	1	107.9933	0.007	4	107.9933	0.007	4	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4,6,6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2	H(C[6,6]C[4,6,6]O[6,6]H)	H(C[6,6]C[4,6,6]O[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(O[6,6]C[6,6])(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6,6]C[4,6,6]O[6,6]H)	H(C[6,6]C[4,6,6]O[6,6]H)	107.9555	0.086	2	107.9933	0.007	4	107.9933	0.007	4	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3,6,6]C[3x6]2)(O[6,6]C[3x6])(H)2{2|H<1>,3|O<2>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	110.1090	0.000	1	110.1090	0.000	1	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[4x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6,6])(O[6,6]C[4x6])(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	104.0700	0.000	1	104.0700	0.000	1	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	109.9200	0.000	1	108.6893	1.747	9	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	109.9625	2.613	2	108.6893	1.747	9	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	108.0598	0.058	6	108.6893	1.747	9	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[4x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[4x6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	110.0630	0.000	1	110.0630	0.000	1	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[5,3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]2C[6])(O[6,6]C[5,3x6])(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	108.1175	0.037	2	108.1175	0.001	2	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	107.9160	0.000	1	109.2578	6.664	4	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	113.1280	0.000	1	109.2578	6.664	4	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	107.9040	0.000	1	109.2578	6.664	4	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	108.0830	0.000	1	109.2578	6.664	4	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(O[6,6]C[3x6])(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	107.8760	0.000	1	107.8760	0.000	1	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(O[6,6]C[3x6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	108.1065	0.103	2	108.1065	0.011	2	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6,6]-2:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	C[6,6](C[4x6]C[6,6,6a]C[3x6]C[6])(O[6,6]C[3x6])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]O[6,6]H)	H(C[6,6]C[4x6]O[6,6]H)	108.0475	0.047	2	108.0475	0.002	2	108.5172	2.848	23	108.2967	1.239	118	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2	H(C[6,6]C[3,3x6]C[6,6]H)	H(C[6,6]C[3,3x6]C[6,6]H)	C[6,6](C[3,3x6]C[3,5,6,6]C[3,5,6]C[6,6])(C[6,6]C[5,6,6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3,3x6]C[6,6]H)	H(C[6,6]C[3,3x6]C[6,6]H)	107.6370	0.056	3	107.6370	0.003	3	107.6370	0.003	3	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	111.0560	6.293	2	109.2476	5.067	13	109.1711	4.760	14	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.9188	1.161	11	109.2476	5.067	13	109.1711	4.760	14	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P)(C[3x6]C[6,6]2)(H)2{2|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1760	0.000	1	108.1760	0.000	1	109.1711	4.760	14	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.8935	0.169	2	107.8935	0.029	2	107.8935	0.029	2	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	105.6890	2.291	2	105.6890	5.249	2	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	106.2400	0.000	1	106.2400	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3050	0.081	2	108.3050	0.006	2	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2350	0.000	1	108.2350	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0070	0.000	1	108.0070	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{1|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3540	0.065	2	108.3540	0.004	2	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|C<6>,2|H<1>,4|B<6>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3460	0.253	2	108.3460	0.064	2	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1780	0.000	1	108.1780	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9030	0.000	1	107.9764	0.006	5	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)(H)2{2|C<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9947	0.078	4	107.9764	0.006	5	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3210	0.000	1	108.3210	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0510	0.000	1	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3455	0.021	2	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2640	0.000	1	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2365	0.071	2	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1410	0.000	1	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3365	0.155	2	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3200	0.000	1	108.2613	0.013	10	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0870	0.000	1	108.0680	0.001	2	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0490	0.000	1	108.0680	0.001	2	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.5070	0.000	1	109.5070	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5407	0.138	6	108.6431	0.089	7	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.2580	0.000	1	108.6431	0.089	7	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]O)(H)2{5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3780	0.000	1	108.3780	0.000	1	108.1381	0.682	39	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,2|C<3>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.0200	0.040	2	108.2021	0.378	18	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.0403	0.057	10	108.2021	0.378	18	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.5323	1.041	6	108.2021	0.378	18	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	107.9160	0.000	1	107.9485	0.002	2	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	107.9810	0.000	1	107.9485	0.002	2	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	111.6757	1.781	3	108.7652	9.576	8	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	107.0190	2.238	5	108.7652	9.576	8	108.3449	2.799	28	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(N[6,6]Nb[3,3,3x6]Si)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	109.4247	0.020	3	109.4247	0.000	3	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.5140	0.000	1	108.5140	0.000	1	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.4960	0.000	1	108.4960	0.000	1	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]P[3x6]C)(H)2{1|N<2>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	107.9219	0.135	9	107.9219	0.018	9	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.4020	0.000	1	108.3877	0.050	15	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.5740	0.000	1	108.3877	0.050	15	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.6440	0.000	1	108.3877	0.050	15	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<3>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.6445	0.139	2	108.3877	0.050	15	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.0650	0.000	1	108.3877	0.050	15	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.3158	0.194	9	108.3877	0.050	15	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.3840	0.000	1	108.4790	0.018	2	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.5740	0.000	1	108.4790	0.018	2	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(N[6,6]C[3x6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.7130	0.000	1	108.7130	0.000	1	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(N[6,6]C[6,6a]C[6])(H)2{1|N<2>,4|H<1>,5|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.6640	0.000	1	108.6640	0.000	1	108.3858	0.196	33	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	108.1373	0.254	30	108.1373	0.064	30	108.2424	0.190	44	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	108.0470	0.000	1	108.4678	0.404	14	108.2424	0.190	44	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<5>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	108.0705	0.053	6	108.4678	0.404	14	108.2424	0.190	44	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Mn<6>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	108.1605	0.127	2	108.4678	0.404	14	108.2424	0.190	44	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	108.9633	0.807	3	108.4678	0.404	14	108.2424	0.190	44	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[3x6]C[3x6]N[6])(H)2{1|Re<6>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	109.4340	0.059	2	108.4678	0.404	14	108.2424	0.190	44	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8880	0.000	1	107.8880	0.000	1	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0720	0.001	2	108.0720	0.000	2	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0658	0.169	10	107.5597	3.113	22	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]H)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.1379	2.344	12	107.5597	3.113	22	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]N)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7680	0.000	1	107.7680	0.000	1	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.9540	0.000	1	107.8845	0.010	2	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]O)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8150	0.000	1	107.8845	0.010	2	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]Pd)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]Pd)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0080	0.000	1	108.0080	0.000	1	107.6514	2.365	29	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2	H(C[6,6]C[4,6,6]N[6,6]H)	H(C[6,6]C[4,6,6]N[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(N[6,6]C[6,6]S)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6,6]C[4,6,6]N[6,6]H)	H(C[6,6]C[4,6,6]N[6,6]H)	108.1340	0.000	1	108.1340	0.000	1	108.1340	0.000	1	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[4x6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.2730	0.000	1	108.2730	0.000	1	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.9720	0.000	1	107.3307	1.884	4	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.9140	0.000	1	107.3307	1.884	4	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1590	0.000	1	107.3307	1.884	4	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]C)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	105.2780	0.000	1	107.3307	1.884	4	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1270	0.000	1	108.1014	0.012	5	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0870	0.000	1	108.1014	0.012	5	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.9500	0.000	1	108.1014	0.012	5	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]O)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1715	0.115	2	108.1014	0.012	5	107.8103	0.806	10	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[4x6]N[3x6]H)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[4x6]N[3x6]H)	H(C[6,6]C[4x6]N[3x6]H)	108.1520	0.166	4	108.0573	0.038	6	108.0573	0.038	6	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[4x6]N[3x6]H)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[4x6]N[3x6]H)	H(C[6,6]C[4x6]N[3x6]H)	107.8680	0.014	2	108.0573	0.038	6	108.0573	0.038	6	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:N[5,6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2	H(C[6,6]N[5,6,6]C[4x6]H)	H(C[6,6]N[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[3x6]N[6,6]C[6])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]N[5,6,6]C[4x6]H)	H(C[6,6]N[5,6,6]C[4x6]H)	108.2250	0.000	1	108.2250	0.000	1	108.2250	0.000	1	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:S[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(S[6,6]C[3x6]C[6a])(H)2	H(C[6,6]C[4x6]S[6,6]H)	H(C[6,6]C[4x6]S[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(S[6,6]C[3x6]C[6a])(H)2{1|O<1>,2|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[4x6]S[6,6]H)	H(C[6,6]C[4x6]S[6,6]H)	108.5310	0.010	2	108.5310	0.000	2	108.5310	0.000	2	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.3605	0.268	2	108.3605	0.072	2	108.2516	0.030	7	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0590	0.000	1	108.1800	0.020	4	108.2516	0.030	7	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.3690	0.000	1	108.1800	0.020	4	108.2516	0.030	7	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.1460	0.085	2	108.1800	0.020	4	108.2516	0.030	7	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]O)(H)2{2|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.3200	0.000	1	108.3200	0.000	1	108.2516	0.030	7	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2	H(C[6,6]C[5,3x6]N[3x6]H)	H(C[6,6]C[5,3x6]N[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[3x6]C[4x6]C[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]N[3x6]H)	H(C[6,6]C[5,3x6]N[3x6]H)	108.1090	0.000	2	108.1090	0.000	2	108.1090	0.000	2	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:N[5,6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2	H(C[6,6]C[5,3x6]N[5,6,6]H)	H(C[6,6]C[5,3x6]N[5,6,6]H)	C[6,6](C[5,3x6]C[5,6,6]N[6,6]C[5])(N[5,6,6]C[5,3x6]C[5])(H)2{1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[5,3x6]N[5,6,6]H)	H(C[6,6]C[5,3x6]N[5,6,6]H)	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	107.8950	0.000	1	107.8950	0.000	1	107.8950	0.000	1	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]O)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.5050	0.000	1	108.5050	0.000	1	108.5050	0.000	1	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,5x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2	H(C[6,6]C[5,5x6]C[6,6]H)	H(C[6,6]C[5,5x6]C[6,6]H)	C[6,6](C[5,5x6]C[5,3x6]2C[6,6])(C[6,6]C[3x6]C)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[5,5x6]C[6,6]H)	H(C[6,6]C[5,5x6]C[6,6]H)	109.1843	0.921	3	109.1843	0.849	3	109.1843	0.849	3	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,6,6]O)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	109.2340	7.037	2	109.2340	49.521	2	109.2340	49.521	2	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[3x6]HH)(C[3x6]C[6,6]2)(H)2{1|Ga<5>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5363	10.371	3	108.5363	107.565	3	108.5363	107.565	3	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]C)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.6060	0.101	5	107.6060	0.010	5	107.6060	0.010	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.7190	0.000	1	107.9140	0.548	24	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9225	0.756	23	107.9140	0.548	24	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8680	0.067	3	108.0211	0.138	104	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9094	0.066	10	108.0211	0.138	104	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0560	0.000	1	108.0211	0.138	104	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9122	0.055	41	108.0211	0.138	104	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9942	0.199	24	108.0211	0.138	104	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2873	0.666	25	108.0211	0.138	104	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8215	0.067	2	107.8215	0.005	2	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.7770	0.000	1	107.8445	0.009	2	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[5,3x6]HH)(N[3x6]C[6,6]2)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9120	0.000	1	107.8445	0.009	2	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	114.7435	3.091	2	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1023	0.102	6	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|Li<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1140	0.000	1	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{1|O<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9920	0.000	1	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2383	1.295	475	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4311	1.477	162	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0649	0.360	112	108.2695	1.667	759	108.2289	1.460	891	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(N[6,6]C[6]2)(H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.6290	0.000	1	108.6290	0.000	1	108.3012	0.050	8	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<2>,1|S<2>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.2325	0.077	2	108.2927	0.033	6	108.3012	0.050	8	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.5910	0.000	1	108.2927	0.033	6	108.3012	0.050	8	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.1445	0.050	2	108.2927	0.033	6	108.3012	0.050	8	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.4110	0.000	1	108.2927	0.033	6	108.3012	0.050	8	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(N[6,6]C[6]2)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.0250	0.000	1	108.0250	0.000	1	108.3012	0.050	8	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:P[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2	H(C[6,6]C[6,6]P[3x6]H)	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	H(C[6,6]C[6,6]P[3x6]H)	111.7313	3.122	3	111.7313	9.746	3	111.7313	9.746	3	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	C[6x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]O)(H)2{5|C<4>,5|H<1>}	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	100.3340	0.000	1	100.3340	0.000	1	100.3340	0.000	1	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(C[6,6]N[3x6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	125.0800	0.020	2	125.0800	0.000	2	115.3352	79.513	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3780	0.000	1	108.3780	0.000	1	115.3352	79.513	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]C[3x6]O)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2950	0.000	1	108.2950	0.000	1	115.3352	79.513	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:C[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2H)(C[6,6]N[3x6]H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	109.8430	0.000	1	109.8430	0.000	1	115.3352	79.513	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Al)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8960	0.020	2	107.8960	0.000	2	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2B)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.9474	0.072	5	107.9474	0.005	5	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|P<4>,7|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.7325	0.308	2	108.8742	8.997	34	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.9230	0.000	1	108.8742	8.997	34	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	109.6961	4.133	17	108.8742	8.997	34	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.0956	0.133	13	108.8742	8.997	34	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.2580	0.000	1	108.8742	8.997	34	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cd)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Cd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8840	0.051	5	107.8840	0.003	5	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6275	0.117	2	107.7824	0.029	5	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8857	0.104	3	107.7824	0.029	5	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8627	0.091	3	107.8627	0.008	3	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2D)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.2013	0.046	3	108.2013	0.002	3	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8985	0.057	2	107.8985	0.003	2	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.0059	0.362	8	108.2213	0.474	67	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.2670	0.741	55	108.2213	0.474	67	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)2{2|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.0238	0.084	4	108.2213	0.474	67	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8590	0.037	8	107.8590	0.001	8	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8586	0.058	5	107.8586	0.003	5	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.2038	0.054	18	108.2038	0.003	18	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6115	0.097	2	107.6115	0.009	2	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Zn)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.9410	0.245	4	107.9410	0.060	4	108.2652	2.150	163	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6,6a]C[6]H)(N[6,6]C[6,6a]C[6])(H)2{4|C<3>,4|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	108.3207	0.036	3	108.3207	0.001	3	108.3202	0.001	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	N[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	C[6,6](N[6,6]C[6]2H)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[6,6]2H)	H(C[6,6]N[6,6]2H)	108.3195	0.056	2	108.3195	0.003	2	108.3202	0.001	5	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Co)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.9920	0.000	1	107.9920	0.000	1	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8686	0.097	7	107.8686	0.009	7	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Fe)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.9408	0.434	16	107.9408	0.188	16	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ir)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ir)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.7285	0.096	8	107.7285	0.009	8	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Mn)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8857	0.067	3	107.8857	0.004	3	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Mo)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	106.7225	1.613	2	106.7225	2.601	2	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.3950	0.118	3	108.3465	0.009	6	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2N)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.2980	0.051	3	108.3465	0.009	6	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ni)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.7450	0.121	6	107.7450	0.015	6	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<3>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.1580	0.106	2	107.4989	1.796	10	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.0185	0.174	4	107.4989	1.796	10	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2O)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	106.6497	1.935	4	107.4989	1.796	10	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Os)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Os)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.0016	0.046	7	108.0016	0.002	7	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.0840	0.000	1	108.0305	4.501	52	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.0190	0.134	3	108.0305	4.501	52	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	106.8020	2.133	2	108.0305	4.501	52	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.0835	2.220	46	108.0305	4.501	52	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.7340	0.588	2	107.9991	0.064	34	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.9532	0.140	32	107.9991	0.064	34	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.6335	0.046	2	107.7984	0.076	24	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8134	0.283	22	107.7984	0.076	24	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Rh)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.9159	0.081	16	107.9159	0.007	16	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8140	0.000	1	107.8755	0.071	95	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8028	0.050	5	107.8755	0.071	95	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.7311	0.405	16	107.8755	0.071	95	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.9130	0.228	73	107.8755	0.071	95	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{1|P<4>,2|N<3>,7|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.9665	0.206	2	107.8011	0.020	10	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[3x6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2W)(N[3x6]C[6,6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.7597	0.096	8	107.8011	0.020	10	107.8995	0.912	297	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[3x6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2	H(C[6,6]N[6,6]P[3x6]H)	H(C[6,6]N[6,6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2B)(N[6,6]P[3x6]C)(H)2{1|B<4>,2|N<3>,4|H<1>}	H(C[6,6]N[6,6]P[3x6]H)	H(C[6,6]N[6,6]P[3x6]H)	107.9413	0.059	3	107.9413	0.003	3	107.9413	0.003	3	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)2	H(C[6,6]N[6,6]P[6,6]H)	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Cu)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[6,6]P[6,6]H)	H(C[6,6]N[6,6]P[6,6]H)	108.1375	0.054	2	108.1375	0.003	2	108.2632	0.012	6	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Mo)(N[6,6]C[6]2)(H)2	H(C[6,6]N[6,6]P[6,6]H)	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Mo)(N[6,6]C[6]2)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[6,6]P[6,6]H)	H(C[6,6]N[6,6]P[6,6]H)	108.2530	0.000	1	108.2530	0.000	1	108.2632	0.012	6	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:N[6,6]-3:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2	H(C[6,6]N[6,6]P[6,6]H)	H(C[6,6]N[6,6]P[6,6]H)	C[6,6](P[6,6]C[6]2Ru)(N[6,6]C[6]2)(H)2{2|N<4>,8|H<1>}	H(C[6,6]N[6,6]P[6,6]H)	H(C[6,6]N[6,6]P[6,6]H)	108.3503	0.037	3	108.3503	0.001	3	108.2632	0.012	6	108.1943	1.972	1619	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3,6,6]-4:B[3,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3,6,6]B[4x3,5,6,6]C[3,3]H)2(H)2	H(C[6,6]B[3,6,6]2H)	H(C[6,6]B[3,6,6]2H)	C[6,6](B[3,6,6]B[4x3,5,6,6]C[3,3]H)2(H)2{1|B<4>,3|B<6>,6|H<1>}	H(C[6,6]B[3,6,6]2H)	H(C[6,6]B[3,6,6]2H)	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[3x6]C[6,6]N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,4|C<4>,6|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	106.2250	0.979	2	106.2250	0.958	2	107.1141	2.169	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	108.4215	0.057	2	108.4215	0.003	2	107.1141	2.169	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	108.4855	0.100	2	108.4855	0.010	2	107.1141	2.169	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N[3x6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	108.4090	0.000	1	108.4090	0.000	1	107.1141	2.169	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	108.5875	0.056	2	108.5875	0.003	2	107.1141	2.169	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	C[6,6](B[3x6]C[6,6]2O[5])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	H(C[6,6]B[3x6]C[3x6]H)	H(C[6,6]B[3x6]C[3x6]H)	105.8105	0.940	6	105.8105	0.884	6	107.1141	2.169	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2	H(C[6,6]B[3x6]C[6,6]H)	H(C[6,6]B[3x6]C[6,6]H)	C[6,6](B[3x6]C[6,6,6a]2C[5])(C[6,6]B[3x6]HH)(H)2{2|N<3>,5|C<3>}	H(C[6,6]B[3x6]C[6,6]H)	H(C[6,6]B[3x6]C[6,6]H)	108.1135	0.108	2	108.1135	0.012	2	108.1135	0.012	2	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[4,6,6]-4:N[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2	H(C[6,6]B[4,6,6]N[4,6,6]H)	H(C[6,6]B[4,6,6]N[4,6,6]H)	C[6,6](B[4,6,6]N[4,6,6]2H)(N[4,6,6]B[4,6,6]2H)(H)2{1|B<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]B[4,6,6]N[4,6,6]H)	H(C[6,6]B[4,6,6]N[4,6,6]H)	107.2611	0.734	8	107.2611	0.539	8	107.2611	0.539	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	H(C[6,6]B[6,6,6a]C[6,6]H)	H(C[6,6]B[6,6,6a]C[6,6]H)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|N<3>,7|C<3>}	H(C[6,6]B[6,6,6a]C[6,6]H)	H(C[6,6]B[6,6,6a]C[6,6]H)	107.6640	0.000	1	107.6640	0.000	1	107.7127	0.002	3	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	B[6,6,6a]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2	H(C[6,6]B[6,6,6a]C[6,6]H)	H(C[6,6]B[6,6,6a]C[6,6]H)	C[6,6](B[6,6,6a]N[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]C[6a]H)(H)2{2|C<4>,7|C<3>}	H(C[6,6]B[6,6,6a]C[6,6]H)	H(C[6,6]B[6,6,6a]C[6,6]H)	107.7370	0.007	2	107.7370	0.000	2	107.7127	0.002	3	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3,3x6]C[3x6]H)	H(C[6,6]C[3,3x6]C[3x6]H)	C[6,6](C[3,3x6]C[5,4x6]C[3,6]O[3])(C[3x6]C[6,6]2O)(H)2{2|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[3,3x6]C[3x6]H)	H(C[6,6]C[3,3x6]C[3x6]H)	108.3930	0.000	1	108.3930	0.000	1	108.3930	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[3,5,6,6]C[6,6]H)	H(C[6,6]C[3,5,6,6]C[6,6]H)	C[6,6](C[3,5,6,6]C[3,5,6]C[3,6]C[5])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3,5,6,6]C[6,6]H)	H(C[6,6]C[3,5,6,6]C[6,6]H)	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[3,6,6]C[4,6,6]H)	H(C[6,6]C[3,6,6]C[4,6,6]H)	C[6,6](C[3,6,6]C[3,3x6]N[3,6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3,6,6]C[4,6,6]H)	H(C[6,6]C[3,6,6]C[4,6,6]H)	108.0090	0.000	1	108.0090	0.000	1	107.9242	0.003	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[3,6,6]C[4,6,6]H)	H(C[6,6]C[3,6,6]C[4,6,6]H)	C[6,6](C[3,6,6]C[3,6,6]C[3]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3,6,6]C[4,6,6]H)	H(C[6,6]C[3,6,6]C[4,6,6]H)	107.9072	0.044	5	107.9072	0.002	5	107.9242	0.003	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x5,4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2	H(C[6,6]C[3x5,4x6]C[3x6]H)	H(C[6,6]C[3x5,4x6]C[3x6]H)	C[6,6](C[3x5,4x6]C[3x5,3x6]C[3x5,5x6]C[5,5])(C[3x6]C[6,6]2C[6a])(H)2{1|O<1>,2|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[3x5,4x6]C[3x6]H)	H(C[6,6]C[3x5,4x6]C[3x6]H)	108.4840	0.000	1	108.4840	0.000	1	108.4840	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x5,5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x5,5x6]C[6,6]H)	H(C[6,6]C[3x5,5x6]C[6,6]H)	C[6,6](C[3x5,5x6]C[3x5,3x6]C[3x5,4x6]C[5,5,6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,3|C<3>,6|C<4>}	H(C[6,6]C[3x5,5x6]C[6,6]H)	H(C[6,6]C[3x5,5x6]C[6,6]H)	108.4920	0.000	1	108.4920	0.000	1	108.4920	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2	H(C[6,6]C[3,6,6]C[3x6]H)	H(C[6,6]C[3,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]O)(C[3,6,6]C[3,5,6]2H)(H)2{1|H<1>,7|C<4>}	H(C[6,6]C[3,6,6]C[3x6]H)	H(C[6,6]C[3,6,6]C[3x6]H)	107.7840	0.000	1	107.7840	0.000	1	107.7840	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,5,6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,1|P<4>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0120	0.034	3	108.0120	0.001	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1640	0.027	2	108.1640	0.001	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0700	0.000	1	108.0700	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2F)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3865	0.023	2	108.3865	0.001	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2430	0.058	2	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2730	0.173	6	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|S<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1760	0.046	8	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Se<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1655	0.075	6	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1233	0.065	3	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2240	0.007	2	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1660	1.512	7	108.1913	0.424	34	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1580	0.000	1	108.1580	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.1160	0.995	5	107.1160	0.989	5	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]2)(C[3x6]C[6,6]2O)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.1800	0.737	3	107.1800	0.544	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0335	0.032	2	108.0335	0.001	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|B<4>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	105.5850	0.651	2	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1710	0.060	3	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2305	0.011	2	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.2034	1.196	8	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1743	0.032	3	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2067	0.062	8	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1520	0.032	5	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1140	0.000	1	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1637	0.062	6	107.8369	0.733	38	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4260	0.000	1	108.4260	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]O[6]H)(H)2{1|Br<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1690	0.000	1	108.1690	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5420	0.061	2	108.5420	0.004	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[3x6]O[6,6]O)(C[3x6]O[6,6]2C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3360	0.000	1	108.3360	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1420	0.000	1	107.3900	1.571	7	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1780	0.018	2	107.3900	1.571	7	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	106.8080	1.445	4	107.3900	1.571	7	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0870	0.000	1	108.0760	0.000	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]C)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0650	0.000	1	108.0760	0.000	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[5,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0780	0.092	3	108.0780	0.008	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,7|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1210	0.000	1	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0100	0.000	1	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0707	0.152	6	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1443	0.038	3	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,7|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0100	0.042	2	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0460	0.013	2	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0895	0.057	2	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.7095	3.863	6	107.9798	3.426	23	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<2>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9880	0.035	2	107.2862	21.033	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6,6]O)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	106.5845	7.818	2	107.2862	21.033	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1990	0.041	2	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|I<1>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0330	0.000	1	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0660	0.000	1	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1870	0.028	2	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3370	0.091	4	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1965	0.049	2	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0040	0.000	1	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0960	0.000	1	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.1290	0.000	1	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0940	0.000	1	108.2459	0.069	16	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0590	0.000	1	108.0590	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[4x6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3050	0.000	1	108.3050	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2580	0.000	1	108.1372	0.004	6	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0995	0.011	2	108.1372	0.004	6	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1680	0.000	1	108.1372	0.004	6	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]C[6]H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0990	0.014	2	108.1372	0.004	6	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,4x6]N[6]O)(C[3x6]C[6,6]2H)(H)2{4|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1740	0.000	1	108.1740	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,5]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0944	0.058	9	108.0944	0.003	9	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6,6]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0468	0.056	4	108.0468	0.003	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	103.0330	0.000	1	103.0330	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[5,6]N[4x6]H)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5780	0.000	1	108.5780	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.9615	1.478	4	108.5195	1.855	13	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	106.9580	1.223	2	108.5195	1.855	13	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0910	0.000	1	108.5195	1.855	13	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1568	0.034	5	108.5195	1.855	13	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1170	0.000	1	108.5195	1.855	13	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[3x6]C[5,4x6]C[6]H)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<2>,3|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0320	0.000	1	108.0320	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3600	0.000	1	108.4190	0.002	8	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4310	0.027	2	108.4190	0.002	8	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4890	0.000	1	108.4190	0.002	8	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5a,6]N[4x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4103	0.045	4	108.4190	0.002	8	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[5x6]C[6,6]I)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3405	0.013	2	108.3405	0.000	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]C)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9460	0.000	1	107.9460	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.6820	0.000	1	107.6820	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[3x6]C[6,6a]C[4x6]C)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3350	0.000	1	108.3350	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{2|C<3>,5|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3760	0.025	2	108.3760	0.001	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2C)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0235	0.534	2	108.0235	0.285	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2Cl)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4230	0.000	1	108.4230	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5250	0.000	1	108.5250	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0352	0.881	5	108.0352	0.776	5	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5900	0.000	1	108.5900	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Br)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Br)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5447	0.035	4	108.5447	0.001	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.8467	0.043	3	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1118	0.049	4	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1460	0.000	1	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.3095	1.129	2	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|H<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9830	0.052	2	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2690	0.000	1	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0410	0.000	1	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0830	0.000	1	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2227	1.722	492	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(H)2{2|H<1>,2|O<1>,5|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.7465	0.391	2	108.2204	2.882	509	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9310	1.463	41	107.9310	2.141	41	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.1433	1.729	3	109.1433	2.989	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)(C[3x6]S[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.8066	0.061	5	107.8066	0.004	5	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,1|C<4>,1|N<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0520	0.000	1	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9820	0.096	3	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.8730	0.000	1	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{1|C<4>,1|N<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0525	0.018	2	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1150	0.000	1	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0289	1.631	60	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C)2(H)2{2|N<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0430	0.000	1	108.0271	2.308	69	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[3])(C[3x6]C[6,6]2H)(H)2{1|Si<2>,1|Si<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0115	0.036	2	108.0115	0.001	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|Ge<3>,1|P<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0427	0.072	6	108.3098	0.250	11	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{1|P<2>,1|P<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9730	0.075	2	108.3098	0.250	11	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4])(C[3x6]C[6,6]2H)(H)2{2|Si<4>,1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.0687	0.212	3	108.3098	0.250	11	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[4a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|S<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.3152	4.112	12	109.3152	16.912	12	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.6838	0.776	5	108.2343	0.140	55	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0963	0.019	3	108.2343	0.140	55	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1577	0.087	33	108.2343	0.140	55	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1704	0.078	8	108.2343	0.140	55	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.4845	0.046	2	108.2343	0.140	55	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|P<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9100	0.031	4	108.2343	0.140	55	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0805	0.100	8	108.1117	0.007	53	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0846	0.074	29	108.1117	0.007	53	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|N<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1500	0.037	2	108.1117	0.007	53	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|O<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2153	0.055	6	108.1117	0.007	53	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[5a])(C[3x6]C[6,6]2H)(H)2{1|N<2>,1|S<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1539	0.059	8	108.1117	0.007	53	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1220	0.000	1	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1190	0.193	3	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|P<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.8720	0.094	3	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0135	0.086	18	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9770	0.000	1	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,3|C<4>,9|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1190	0.053	8	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{1|O<2>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0293	0.100	3	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0915	0.086	2	108.0394	0.012	39	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1270	0.000	1	108.1270	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.6009	0.871	9	108.0121	0.640	163	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9777	0.785	154	108.0121	0.640	163	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2{2|C<3>,2|C<4>,2|N<2>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0350	0.000	1	107.9868	0.229	32	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2C[6a])2(H)2{2|C<4>,4|C<3>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9853	0.487	31	107.9868	0.229	32	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Cl)(C[3x6]C[6,6]2F)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4170	0.000	1	108.4170	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2365	0.248	2	108.1405	0.043	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0445	0.175	2	108.1405	0.043	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2F)(C[3x6]C[6,6]2I)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5040	0.000	1	108.5040	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Ge)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1335	0.170	2	108.1335	0.029	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2I)(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3468	0.084	4	108.3468	0.007	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<3>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	148.6640	0.000	1	108.1856	5.092	504	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1025	1.353	502	108.1856	5.092	504	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(H)2{4|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.4160	0.000	1	108.1856	5.092	504	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2295	0.095	4	108.3918	0.597	83	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2O)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4000	0.791	79	108.3918	0.597	83	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2P)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1600	0.116	163	108.1600	0.013	163	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2S)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1771	0.319	41	108.1771	0.102	41	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Al<4>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2120	0.054	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Au<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1727	0.037	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.5708	0.711	13	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<2>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1510	0.074	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2515	0.152	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3318	0.789	11	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1509	0.027	8	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1560	0.011	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1574	0.046	8	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3125	0.811	57	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1807	0.086	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.9319	0.673	10	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<4>,1|C<5>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.3825	1.410	6	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|C<4>,1|N<3>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3060	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Cl<1>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1702	0.065	4	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<5>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1933	0.030	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Fe<6>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1791	0.098	7	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ga<5>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1765	0.045	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|H<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2270	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ir<4>,1|Li<3>,1|H<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4300	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Mn<8>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1808	0.087	4	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1510	0.098	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1990	0.006	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1455	0.012	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1594	0.081	38	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|N<4>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1350	0.089	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2270	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<1>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1535	0.093	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2790	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9971	0.675	47	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.1642	0.590	12	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|O<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0521	1.652	24	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<6>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2097	0.038	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ru<9>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2470	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|S<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9250	0.014	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Se<2>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1863	0.081	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,1|O<2>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1756	0.071	5	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Si<4>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2210	0.031	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<12>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9219	1.034	14	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Ti<13>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2055	0.050	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{1|Zn<4>,2|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2163	0.028	3	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9167	2.464	16	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,2|S<2>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1980	0.035	2	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.5770	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2202	1.110	1628	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.7642	1.249	39	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9458	0.658	6	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2H)2(H)2{4|H<1>,6|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.4260	0.000	1	108.2017	1.175	2015	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Ir)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Ir)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1330	0.000	1	108.1330	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{1|C<4>,1|N<3>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	113.6617	2.308	3	110.6136	9.911	7	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3275	0.115	4	110.6136	9.911	7	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[3])(C[3x6]C[6,6]2H)(H)2{2|Ge<5>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1050	0.093	2	108.1050	0.009	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|B<4>,1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2640	0.000	1	108.1633	0.006	10	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{1|Si<5>,1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0743	0.030	3	108.1633	0.006	10	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[4])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|P<3>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1910	0.054	6	108.1633	0.006	10	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4652	4.476	6	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3551	0.178	16	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2069	0.096	19	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,7|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1980	0.000	1	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Ru<9>,1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2460	0.044	2	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{1|Si<4>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1577	0.055	3	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2844	0.758	103	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5])(C[3x6]C[6,6]2H)(H)2{2|C<4>,2|S<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2900	0.024	2	108.2858	1.059	152	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[5a])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3083	0.088	11	108.3083	0.008	11	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6])(C[3x6]C[6,6]2H)(H)2{1|Ge<2>,1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0683	0.060	3	108.0683	0.004	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{1|B<3>,1|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1322	0.030	4	108.1505	0.001	6	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2N[6a])(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1870	0.006	2	108.1505	0.001	6	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2O)(C[3x6]N[6,6]2H)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4203	0.057	3	108.4203	0.003	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2858	0.050	6	108.2523	0.006	8	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2P[5])(C[3x6]C[6,6]2H)(H)2{1|P<3>,3|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1515	0.035	2	108.2523	0.006	8	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2Se)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2193	0.141	3	108.2193	0.020	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1275	0.046	2	108.1275	0.002	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C)2(H)2{2|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	109.6310	2.558	3	109.6310	6.543	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9805	0.037	2	108.0417	0.012	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[4x6]C[6]H)(H)2{2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1640	0.000	1	108.0417	0.012	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[3x6]C[6,6a]C[4x6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2357	0.065	3	108.2357	0.004	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]Cl)(C[3x6]C[4x6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	111.9090	0.000	1	111.9090	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2860	0.000	1	108.3063	0.002	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3130	0.045	3	108.3063	0.002	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2080	0.000	1	108.2080	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{2|Br<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4445	0.040	2	108.4445	0.002	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]N[6,6]H)2(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3452	0.060	4	108.3452	0.004	4	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|C<4>,5|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4150	0.000	1	108.4150	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]C)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2115	0.006	2	108.2115	0.000	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.2515	0.069	2	108.2515	0.005	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[6,6]O[6,6]O)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4475	0.023	2	108.4475	0.001	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]H)2(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.5720	0.000	1	108.5720	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1513	0.067	7	108.1513	0.004	7	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]S[6,6]C)(C[3x6]C[4x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.7870	0.062	2	107.7870	0.004	2	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[3,6,6]C[6,6]C)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[3,6,6]C[6,6]C)2(H)2{2|C<4>,4|H<1>,4|O<2>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	104.3180	7.362	3	104.3180	54.203	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[3x4,3x6a]C[6,6]2)(C[3x6]C[6,6]2H)(H)2{3|Ge<3>,2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1290	0.086	3	108.1290	0.007	3	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[4x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.3240	0.000	1	108.3240	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)2(H)2{1|Ga<6>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.6460	0.000	1	107.6460	0.000	1	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0808	0.044	22	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Cl<1>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0840	0.000	1	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Co<4>,1|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1060	0.041	2	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1435	0.011	2	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Ir<4>,1|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0332	0.056	4	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<1>,1|P<4>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0610	0.037	2	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|O<2>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1550	0.007	2	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|P<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1070	0.045	3	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,1|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0299	0.035	8	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<4>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9102	0.122	5	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	107.9570	0.119	4	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pd<7>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1830	0.030	2	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|C<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0853	0.074	14	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0588	0.095	10	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Pt<4>,3|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1050	0.000	1	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{1|Rh<4>,1|N<3>,2|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.0570	0.081	4	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]O[6,6]P[6,6]C)(C[3x6]O[6,6]2C)(H)2{4|C<4>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.1090	0.000	1	108.0627	0.007	87	108.1864	1.777	4372	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]C[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	107.7130	0.034	2	107.7130	0.001	2	108.0483	0.619	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	107.9340	0.000	1	107.7782	0.044	4	108.0483	0.619	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	107.9830	0.000	1	107.7782	0.044	4	108.0483	0.619	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]O[6]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,6|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	107.5980	0.025	2	107.7782	0.044	4	108.0483	0.619	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[3x6]C[3x6]S[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	109.7990	0.000	1	109.7990	0.000	1	108.0483	0.619	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2C)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.1025	0.052	2	108.1025	0.003	2	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2C)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.9355	0.257	2	107.9355	0.066	2	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2265	0.033	2	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	106.0133	1.142	6	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	106.4438	1.793	6	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.4470	0.000	1	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2820	0.052	4	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2443	0.194	6	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.7067	1.128	3	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.4428	1.514	4	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{1|P<4>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2070	0.000	1	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.9916	1.797	13	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2H)(H)2{5|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.4237	1.325	3	107.5408	2.206	49	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.1083	0.069	3	108.1418	0.034	5	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2H)(C[4x6]C[4x6]2N)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.1920	0.345	2	108.1418	0.034	5	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]2N)(C[4x6]C[4x6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2468	0.062	6	108.2468	0.004	6	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]2H)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.4180	0.096	2	108.4180	0.009	2	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[4x6]C[4x6]3)(H)2{4|H<1>,7|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.8985	0.197	2	107.8985	0.039	2	107.7117	1.667	68	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1930	0.052	2	108.1930	0.003	2	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,5,3x6]C[6,6]H)(C[5,6,6]C[5,4x6]C[5]H)(H)2{1|H<1>,4|C<4>,5|O<2>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.9510	0.000	1	107.9510	0.000	1	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	109.8890	0.570	2	108.4886	2.369	5	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	106.2390	0.000	1	108.4886	2.369	5	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|F<1>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1230	0.000	1	108.4886	2.369	5	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{2|F<1>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.3030	0.000	1	108.4886	2.369	5	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1850	0.023	2	108.1850	0.001	2	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[5,6,6]C[5,3x6]C[5]C)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.3220	0.000	1	108.3220	0.000	1	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1270	0.000	1	108.1270	0.000	1	108.2999	0.896	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2	H(C[6,6]C[3x6]C[5x6]H)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[3x6]C[4x6]C[6]H)(C[5x6]C[4x6]2C[6])(H)2{1|C<3>,3|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[5x6]H)	H(C[6,6]C[3x6]C[5x6]H)	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]As[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8435	0.049	2	107.8435	0.002	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,5,6,6]C[6,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1815	0.006	2	108.1815	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2580	0.000	1	108.2580	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2368	0.080	4	108.2368	0.006	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9255	0.050	2	107.9255	0.003	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2670	0.000	1	108.2670	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]CC)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8570	0.000	1	107.8570	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2275	0.063	2	108.2275	0.004	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2990	0.000	1	108.2965	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2940	0.000	1	108.2965	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0760	0.000	1	108.0760	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1130	0.000	1	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0675	0.019	2	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2630	0.058	2	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1307	0.195	3	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.8080	4.067	2	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2488	0.080	21	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.6328	1.616	6	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1470	0.035	2	108.2076	0.974	39	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3300	0.000	1	107.6975	1.477	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2925	0.001	2	107.6975	1.477	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	105.8750	0.000	1	107.6975	1.477	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1310	0.000	1	108.1310	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.7310	0.000	1	107.7260	0.001	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,3x6]C[6]H)(C[6,6]C[4,6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.7243	0.041	3	107.7260	0.001	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1367	0.021	3	108.1367	0.000	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.3570	3.182	2	107.3570	10.125	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.5525	0.063	2	108.9100	0.553	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2320	0.000	1	108.9100	0.553	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3030	0.000	1	108.9100	0.553	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2390	0.000	1	108.2390	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]O[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.3833	0.042	4	107.3833	0.002	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]C[6]S[6])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	105.1575	2.367	2	105.1575	5.601	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3020	1.855	2	108.3020	3.443	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2958	0.037	5	108.2958	0.001	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]Cl)(C[6,6]C[5,3x6]HH)(H)2{2|Cl<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4350	0.000	1	108.4350	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2150	0.117	2	108.2290	0.004	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2325	0.054	8	108.2290	0.004	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[4x6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4100	0.000	1	108.4100	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5315	0.186	2	108.5315	0.035	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1810	0.000	1	108.1960	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2110	0.000	1	108.1960	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,3x6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3940	0.000	1	108.3940	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,5,6,6]C[6,6]C)(C[6,6]C[6,6]O[6]H)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1340	0.000	1	108.1340	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3800	0.000	1	108.3800	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]CC)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.7890	0.000	1	107.7890	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9755	0.092	4	107.9755	0.009	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2690	0.000	1	108.2730	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2770	0.000	1	108.2730	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9480	0.154	2	107.9960	0.019	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0920	0.000	1	107.9960	0.019	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2280	0.000	1	108.2280	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9950	0.037	2	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.6790	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2820	0.039	5	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1484	0.048	8	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.4935	0.060	2	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1650	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3260	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1500	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1390	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1420	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1593	0.064	18	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1195	0.015	2	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2440	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Li<7>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2290	0.096	2	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0240	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4030	0.000	1	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4132	0.793	6	108.2572	0.136	54	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2660	0.000	1	108.2660	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2665	0.189	2	108.2665	0.036	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|S<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.7440	0.211	2	107.9993	0.102	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2545	0.008	2	107.9993	0.102	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(C[6,6]C[5x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0560	0.000	1	108.0560	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]N[6,6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3230	0.000	1	108.3230	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	111.2390	0.000	1	109.7670	4.334	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2950	0.000	1	109.7670	4.334	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1630	0.057	7	108.1775	0.003	12	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1813	0.054	4	108.1775	0.003	12	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[4x6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2640	0.000	1	108.1775	0.003	12	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1630	0.030	2	108.1737	0.001	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5,6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1950	0.000	1	108.1737	0.001	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1115	0.129	2	108.1115	0.017	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0950	0.040	2	108.0466	0.021	24	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1370	0.090	6	108.0466	0.021	24	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2002	0.052	4	108.0466	0.021	24	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5a,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9421	0.119	12	108.0466	0.021	24	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[5x6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1552	0.063	4	108.1552	0.004	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0454	0.327	8	108.0454	0.107	8	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CC)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1475	0.090	2	108.1475	0.008	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.0060	1.137	2	109.0060	1.293	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1590	0.802	8	108.1590	0.644	8	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HP)(H)2{1|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2690	0.000	1	108.2690	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]PtH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]PtH)(H)2{1|Se<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4230	0.000	1	108.4230	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1310	0.000	1	108.1310	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Ru<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.5560	0.084	3	107.5560	0.007	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CN)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0990	0.000	1	108.0990	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9403	0.168	3	107.9403	0.028	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[5]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1790	0.000	1	108.1790	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]N[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1110	0.000	1	108.1110	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0645	0.120	2	108.1137	0.014	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2120	0.000	1	108.1137	0.014	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]BrH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5200	0.000	1	108.5200	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1790	0.059	2	108.1790	0.004	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1780	0.066	2	108.1780	0.004	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1800	0.071	2	108.0615	0.399	63	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1947	0.056	4	108.0615	0.399	63	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0431	0.694	52	108.0615	0.399	63	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1070	0.000	1	108.0615	0.399	63	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2730	0.000	1	108.0615	0.399	63	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0387	0.134	3	108.0615	0.399	63	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4507	0.046	3	108.4507	0.002	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3990	0.017	2	108.3990	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2220	0.000	1	108.1130	0.024	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]O)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0040	0.000	1	108.1130	0.024	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6]2)(C[6,6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|O<1>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1090	0.000	1	108.1090	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6]C[3x6]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1800	0.000	1	108.1800	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1750	0.000	1	108.1750	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0630	0.000	1	108.0630	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1490	0.096	2	108.1490	0.009	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1140	0.000	1	108.1140	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]C[6a]H)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3353	0.041	4	108.3353	0.002	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6,6a]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3504	0.100	5	108.3504	0.010	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9120	0.000	1	107.9120	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1033	0.023	3	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|B<4>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1388	0.210	8	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1443	0.108	41	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0145	0.085	4	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8500	0.000	1	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1164	0.129	27	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0190	0.000	1	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9030	0.000	1	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0530	0.000	1	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0690	0.000	1	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0327	0.031	3	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|Se<1>,1|H<1>,1|N<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1290	0.000	1	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1712	0.067	5	108.1187	0.016	97	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2140	0.097	4	108.1246	0.017	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9760	0.000	1	108.1246	0.017	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0200	0.000	2	108.1246	0.017	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8570	0.000	1	107.8570	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6]2O)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1415	0.062	2	108.1415	0.004	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3150	0.000	1	108.3150	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C)(C[6,6]N[3x6]HH)(H)2{1|B<5>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0245	0.042	2	108.0245	0.002	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1435	0.019	2	107.4201	1.568	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|Cr<9>,1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	106.5037	1.577	3	107.4201	1.568	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6])(C[6,6]C[3x6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0715	0.142	2	107.4201	1.568	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x5,5x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8990	0.000	1	107.8990	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0675	0.046	2	106.5416	3.972	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	105.5243	2.015	3	106.5416	3.972	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1785	0.016	2	108.3106	0.035	11	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2F)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3400	0.196	9	108.3106	0.035	11	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.1210	0.000	1	107.1210	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|W<7>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5100	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2170	0.069	4	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	104.9900	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4380	0.185	2	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1320	0.100	4	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	104.3000	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|W<7>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3997	0.172	3	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3430	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3253	0.162	6	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4845	0.244	2	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0040	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1812	0.084	5	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.6910	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.4900	0.000	1	108.0190	0.819	33	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2765	0.032	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	104.7760	4.797	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2733	0.073	3	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3370	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0800	0.414	4	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2260	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1770	0.078	3	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.0230	0.400	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1700	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0992	3.756	6	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2500	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	119.6480	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0920	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2060	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1200	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2615	0.032	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.5330	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3440	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2287	0.643	11	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2690	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2645	0.087	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3380	0.011	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1717	0.047	3	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2585	0.028	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2880	0.082	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	105.2110	1.708	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3470	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2903	0.109	15	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0850	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1380	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	112.7875	7.840	2	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|P<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1227	0.072	4	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2448	0.094	6	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1690	0.000	1	108.3390	4.262	90	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4025	0.053	2	108.1467	0.059	11	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0550	0.006	2	108.1467	0.059	11	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0999	0.266	7	108.1467	0.059	11	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2800	0.000	1	108.2430	0.003	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2060	0.000	1	108.2430	0.003	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HS)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3400	0.000	1	108.3400	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1980	0.101	4	108.1980	0.010	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1220	0.000	1	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.4825	1.391	4	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2240	0.000	1	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2640	0.000	1	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2400	0.000	1	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1620	0.000	1	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4210	0.000	1	107.9363	0.804	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9950	0.000	1	108.0865	0.017	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[4x6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1780	0.000	1	108.0865	0.017	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[6x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2210	0.000	1	108.2210	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4165	0.071	2	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1600	0.000	1	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2800	0.000	1	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2215	1.004	21	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9617	1.523	39	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5897	0.828	9	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3083	0.074	4	108.1425	1.543	77	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2750	0.000	1	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Al<5>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3625	0.064	2	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3440	0.007	2	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.9365	0.757	2	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2590	0.000	1	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4280	0.029	3	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3589	0.063	34	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4174	0.053	12	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.7613	1.589	23	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3574	1.628	37	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.6907	1.187	8	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Cu<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2425	0.498	4	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.3750	0.000	1	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2725	0.042	4	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|In<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1597	0.263	7	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Li<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	103.3474	3.542	3	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3930	0.028	3	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1750	0.000	1	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1360	0.000	1	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.5267	0.056	8	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4168	0.050	4	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2357	0.174	70	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2698	0.070	6	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Sn<4>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2555	0.033	2	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{1|Zn<5>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3436	0.062	5	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1638	0.217	17	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2655	0.106	32	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4125	0.135	4	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0860	0.027	2	108.3277	0.960	299	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3130	0.000	1	108.3130	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3860	0.000	1	108.3860	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1947	0.091	9	108.1994	0.025	14	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2080	0.254	5	108.1994	0.025	14	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|C<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	111.8900	0.000	1	109.8490	3.568	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,2|C<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1620	0.000	1	109.8490	3.568	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.4950	0.000	1	109.8490	3.568	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]C)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0525	0.022	2	108.0525	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2520	0.121	5	108.2520	0.015	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6]C[6,6a]C[6]C)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0850	0.000	1	108.0850	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CC)(H)2{2|C<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0000	0.000	1	108.0000	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0565	0.033	2	108.0948	0.003	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1044	0.054	8	108.0948	0.003	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2570	0.000	1	108.1426	0.020	14	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9723	0.018	3	108.1426	0.020	14	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3455	0.071	2	108.1426	0.020	14	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1415	0.100	8	108.1426	0.020	14	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2790	0.000	1	108.2790	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4210	0.000	1	108.4210	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4970	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3616	0.079	9	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3360	0.277	2	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3670	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<5>,1|O<2>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4790	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2500	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3483	0.054	4	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5260	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.2980	1.505	2	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2985	0.077	4	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2250	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3929	0.091	12	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	106.8660	3.115	5	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8070	0.000	1	108.1401	1.204	45	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3100	0.000	1	108.3015	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2930	0.000	1	108.3015	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4727	0.011	3	108.7222	8.480	6	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	104.5680	0.000	1	108.7222	8.480	6	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	111.1735	3.597	2	108.7222	8.480	6	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]HO)(H)2{1|N<3>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9917	0.019	3	107.9917	0.000	3	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]N[5]H)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0940	0.034	2	108.0940	0.001	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0920	0.000	1	108.0920	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0130	0.000	1	108.0130	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2620	0.028	2	108.2620	0.001	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3240	0.167	8	108.3240	0.028	8	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3850	0.000	1	108.3850	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[5a]C)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2975	0.043	2	108.2975	0.002	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]C[6a]C)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0985	0.026	2	108.0985	0.001	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]ClC)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	110.2711	2.430	9	110.2711	5.906	9	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8237	2.315	11	107.8237	5.357	11	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.4777	0.087	6	109.3176	0.186	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3570	0.000	1	109.3176	0.186	7	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]N[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.7900	0.407	2	108.7900	0.166	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2840	0.057	2	108.4015	0.024	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5190	0.112	2	108.4015	0.024	4	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2610	0.000	1	108.2610	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[3x6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1420	0.037	2	108.1420	0.001	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4816	0.075	9	108.4617	0.009	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[6,6]C[4x6]HH)(H)2{5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2830	0.000	1	108.4617	0.009	10	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[4x6]H)(C[6,6]C[3x6]HH)(H)2{1|As<3>,1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.8010	0.006	2	107.8010	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pd<4>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1285	0.105	2	108.0654	0.009	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|Pt<4>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9825	0.009	2	108.0654	0.009	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6]P[6,6]H)(C[6,6]C[3x6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1050	0.000	1	108.0654	0.009	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6,6]C[6]O[6]O)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4060	0.000	1	108.4060	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3740	0.000	1	108.3740	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2890	0.000	1	108.2890	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5,6,6]N[6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.4240	0.004	2	109.4240	0.000	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[5a,6,6]C[5,6,6]C)(C[6,6]C[3x6]CC)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.6800	0.000	1	108.6800	0.000	1	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3955	0.032	2	108.4202	0.002	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4760	0.000	1	108.4202	0.002	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C)(C[6,6]C[3x6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4170	0.034	2	108.4202	0.002	5	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4840	0.000	1	108.4310	0.006	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[3x6]N[6,6]2C[6a])(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3780	0.000	1	108.4310	0.006	2	108.2223	1.061	1216	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.1550	0.174	2	108.1550	0.030	2	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<4>,8|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.3820	0.101	7	108.3331	0.013	10	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.2650	0.000	1	108.3331	0.013	10	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.1960	0.031	2	108.3331	0.013	10	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.0370	0.071	2	108.0697	0.006	3	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.1350	0.000	1	108.0697	0.006	3	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2C)(N[3x6]C[6,6]2H)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.2722	0.082	6	108.2722	0.007	6	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	C[6,6](C[3x6]N[6,6]2H)(N[3x6]C[6,6]2C)(H)2{2|C<4>,6|H<1>}	H(C[6,6]C[3x6]N[3x6]H)	H(C[6,6]C[3x6]N[3x6]H)	108.3400	0.048	2	108.3400	0.002	2	108.2680	0.018	23	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(N[6,6]C[3x6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.3170	0.000	1	108.3170	0.000	1	108.2502	0.030	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.4260	0.000	1	108.4260	0.000	1	108.2502	0.030	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]CO)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.2390	0.000	1	108.2390	0.000	1	108.2502	0.030	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[3x6]N[6,6]H)	H(C[6,6]C[3x6]N[6,6]H)	108.0190	0.000	1	108.0190	0.000	1	108.2502	0.030	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2	H(C[6,6]C[3x6]P[6,6]H)	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](C[3x6]C[6,6]2H)(P[6,6]C[3x6]CC)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]P[6,6]H)	H(C[6,6]C[3x6]P[6,6]H)	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[4,3x6]C[3x6]H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,3x6]2H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,5|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	H(C[6,6]C[4,3x6]C[3x6]H)	108.9800	0.740	2	108.9800	0.547	2	108.1444	0.875	5	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[4,3x6]C[3x6]H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	H(C[6,6]C[4,3x6]C[3x6]H)	107.3040	0.380	2	107.5873	0.313	3	108.1444	0.875	5	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[4,3x6]C[3x6]H)	H(C[6,6]C[4,3x6]C[3x6]H)	C[6,6](C[4,3x6]C[4,6,6]C[6,6]C[4])(C[3x6]C[6,6]2H)(H)2{4|C<4>,8|H<1>}	H(C[6,6]C[4,3x6]C[3x6]H)	H(C[6,6]C[4,3x6]C[3x6]H)	108.1540	0.000	1	107.5873	0.313	3	108.1444	0.875	5	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2	H(C[6,6]C[4,3x6]C[6,6]H)	H(C[6,6]C[4,3x6]C[6,6]H)	C[6,6](C[4,3x6]C[4,4,3x6]C[4,5,4x6]H)(C[6,6]C[5,5x6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,3x6]C[6,6]H)	H(C[6,6]C[4,3x6]C[6,6]H)	104.3080	0.000	1	104.3080	0.000	1	106.8775	13.205	2	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,3x6]C[6,6]H)	H(C[6,6]C[4,3x6]C[6,6]H)	C[6,6](C[4,3x6]C[4,6,6]C[4,6]C[6])(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[4,3x6]C[6,6]H)	H(C[6,6]C[4,3x6]C[6,6]H)	109.4470	0.000	1	109.4470	0.000	1	106.8775	13.205	2	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[3x6]C[3x6]C[5,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[3x6]H)	H(C[6,6]C[4,6,6]C[3x6]H)	108.1300	0.000	1	108.1300	0.000	1	108.1300	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[3,4,6]C[4,6,6]H)(C[6,6]C[6]2H)(H)2{2|N<3>,3|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	109.5930	0.000	1	109.5930	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.1180	0.000	1	108.1180	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,5,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.9087	0.081	3	107.9087	0.007	3	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0485	0.049	2	108.0265	0.002	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0260	0.000	1	108.0265	0.002	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.9830	0.000	1	108.0265	0.002	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	109.3780	0.000	1	109.3780	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.4480	0.000	1	108.4480	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7277	0.041	6	107.9493	0.590	8	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[3x6]HH)(H)2{1|S<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.6140	1.715	2	107.9493	0.590	8	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8040	0.126	2	107.7207	0.015	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.6375	0.040	2	107.7207	0.015	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[5,6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.5950	0.143	2	107.5950	0.020	2	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]BH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.5090	0.000	1	107.5090	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.2130	1.085	4	108.2130	1.178	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CaH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CaH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0945	0.036	2	108.0945	0.001	2	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CrH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]CrH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8947	0.076	11	107.8947	0.006	11	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]FeH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]FeH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8175	0.005	2	107.8175	0.000	2	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8760	0.188	3	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8840	0.000	1	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.6420	0.000	1	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8652	0.090	10	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|Cl<1>,1|C<4>,1|S<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7300	0.035	2	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0790	0.000	1	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.9379	0.229	19	107.8964	0.036	37	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7971	0.109	17	107.7971	0.012	17	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7760	0.000	1	107.7600	0.001	2	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7440	0.000	1	107.7600	0.001	2	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HV)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HV)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.9818	0.049	4	107.9818	0.002	4	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]LaH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]LaH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.1273	0.046	3	108.1273	0.002	3	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]TiH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]TiH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.9360	0.000	1	107.9360	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]ZrH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]ZrH)(H)2{2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0300	0.048	9	108.0300	0.002	9	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.7225	0.064	2	108.7225	0.004	2	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]N[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8980	0.000	1	107.8980	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(C[6,6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0890	0.000	1	108.0890	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[4,6,6]C[4,6]S[4,6]C)(C[6,6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.8060	0.000	1	107.8060	0.000	1	107.9516	0.142	123	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2	H(C[6,6]C[4,6,6]N[6,6]H)	H(C[6,6]C[4,6,6]N[6,6]H)	C[6,6](C[4,6,6]C[4,6]N[4,6]H)(N[6,6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]N[6,6]H)	H(C[6,6]C[4,6,6]N[6,6]H)	108.0570	0.044	2	108.0570	0.002	2	108.0570	0.002	2	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3,3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2510	0.000	1	108.2510	0.000	1	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[6,6]2H)(H)2{4|C<4>,9|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.0680	0.008	2	108.0680	0.000	2	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.0713	0.062	3	108.2108	0.044	6	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2280	0.089	2	108.2108	0.044	6	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.5950	0.000	1	108.2108	0.044	6	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]N[6,6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2320	0.000	1	108.2320	0.000	1	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.3620	0.000	1	108.4070	0.004	2	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]C[6,6]O[6,6]H)(H)2{4|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.4520	0.000	1	108.4070	0.004	2	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[3x6]O[6,6]2C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.5180	0.000	1	108.5180	0.000	1	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.0490	0.068	2	108.3840	0.366	5	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4,3x6]C[3x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.6073	0.737	3	108.3840	0.366	5	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.4982	1.455	5	107.4982	2.117	5	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	106.7115	2.135	6	106.7115	4.559	6	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[5x6]H)(C[3x6]C[6,6]2P)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.6030	2.714	2	108.6030	7.365	2	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[4x6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	107.8240	0.000	1	107.8240	0.000	1	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.3750	0.127	2	108.3140	0.019	3	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.1920	0.000	1	108.3140	0.019	3	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2C)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.0590	0.000	1	108.0590	0.000	1	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.1810	0.000	1	108.2100	0.002	2	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6]C[6x6]H)(C[3x6]C[6,6]2H)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.2390	0.000	1	108.2100	0.002	2	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	C[6,6](C[4x6]C[6,6a]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[4x6]H)	H(C[6,6]C[3x6]C[4x6]H)	108.0260	0.000	1	108.0260	0.000	1	107.9326	1.428	39	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[4x6]2H)2(H)2	H(C[6,6]C[4x6]2H)	H(C[6,6]C[4x6]2H)	C[6,6](C[4x6]C[4x6]2H)2(H)2{4|H<1>,6|C<4>}	H(C[6,6]C[4x6]2H)	H(C[6,6]C[4x6]2H)	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	108.1760	0.000	1	108.1760	0.000	1	108.3745	0.116	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[5,6,6]C[5,5,3x6]C[5]O)(H)2{1|O<1>,2|N<3>,4|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	108.8330	0.000	1	108.8330	0.000	1	108.3745	0.116	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6,6]C[3,5,6]C[5,5,6]C)(H)2	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[5,6,6]C[3,5,6]C[5,5,6]C)(H)2{1|C<3>,4|O<2>,7|C<4>}	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	108.0290	0.021	2	108.0290	0.000	2	108.3745	0.116	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	C[6,6](C[4x6]C[6,6]N[3x6]C[6])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|N<3>,1|O<1>,2|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[4x6]H)	H(C[6,6]C[5,6,6]C[4x6]H)	108.5900	0.000	2	108.5900	0.000	2	108.3745	0.116	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0770	0.222	2	108.0300	0.031	3	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2C)(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.9360	0.000	1	108.0300	0.031	3	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]2H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0900	0.000	1	108.0900	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0685	0.021	2	108.0417	0.001	7	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]C)(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0310	0.025	5	108.0417	0.001	7	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.5163	0.021	3	108.4968	0.003	5	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.4040	0.000	1	108.4968	0.003	5	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.5310	0.000	1	108.4968	0.003	5	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[4x6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.5870	0.000	1	108.5870	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[4x6]H)(C[6,6]C[5,6]N[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.3610	0.000	1	108.3610	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1840	0.119	5	108.1817	0.011	6	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1700	0.000	1	108.1817	0.011	6	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.9310	0.000	1	107.8175	0.016	4	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{1|O<1>,1|S<3>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.7070	0.006	2	107.8175	0.016	4	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]CO)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.9250	0.000	1	107.8175	0.016	4	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0050	0.000	1	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1200	0.016	2	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	105.1280	0.000	1	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.4180	0.083	2	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.3140	0.000	1	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0595	0.018	2	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0500	0.091	3	107.8993	0.786	12	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.2380	0.000	1	108.2380	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.4170	0.000	1	108.4170	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.2290	0.000	1	108.1560	0.011	2	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[6x6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.0830	0.000	1	108.1560	0.011	2	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1980	0.000	1	108.1980	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.2050	0.000	1	108.2050	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]C[6x6]H)(C[6,6]C[5x6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.4405	0.016	2	108.4405	0.000	2	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.3840	0.000	1	108.3840	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[3x6]O[6,6]C[6])(C[6,6]C[4x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.3577	0.116	9	108.3577	0.013	9	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.2810	0.136	2	108.2810	0.018	2	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]CH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	107.7975	0.040	2	107.7975	0.002	2	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.4050	0.000	1	108.4050	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6]C[6])(C[6,6]C[5,5,3x6]HH)(H)2{2|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.5420	0.000	1	108.5420	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.2210	0.000	1	108.2210	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	C[6,6](C[4x6]C[5,3x6]C[6,6a]C[6,6])(C[6,6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[4x6]C[6,6]H)	H(C[6,6]C[4x6]C[6,6]H)	108.1260	0.000	1	108.1260	0.000	1	108.1570	0.190	66	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[4x6]N[3x6]H)	H(C[6,6]C[4x6]N[3x6]H)	C[6,6](C[4x6]N[4x6]2C)(N[3x6]C[6,6]2C)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[4x6]N[3x6]H)	H(C[6,6]C[4x6]N[3x6]H)	108.0854	0.059	5	108.0854	0.003	5	108.0854	0.003	5	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[4x5,6,6]C[3x6]O[5,6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.1670	0.000	1	108.1670	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,7|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.0130	0.000	1	108.0130	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	107.8140	0.000	1	107.8140	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,3x6]C[6,6]N[5,6])(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.3825	0.027	6	108.3825	0.001	6	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.4430	0.006	2	108.4430	0.000	2	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.4190	0.061	2	108.3915	0.001	6	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.3755	0.008	2	108.3915	0.001	6	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.3870	0.000	1	108.3915	0.001	6	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]C[6]O[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|H<1>,2|O<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.3730	0.000	1	108.3915	0.001	6	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]N[5,6]H)(C[3x6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	110.3120	0.000	1	110.3120	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,4x6]O[5]O[6])(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.5010	0.000	1	108.5010	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.5630	0.000	1	108.6160	0.002	3	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[3,6,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.6425	0.019	2	108.6160	0.002	3	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,4x6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.5250	0.000	1	108.5250	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,5x6]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	109.5410	0.288	2	109.5410	0.083	2	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[3x6]C[6,6]2C)(H)2{1|O<1>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	107.7445	0.054	2	107.7445	0.003	2	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|N<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.2783	0.044	3	108.2783	0.002	3	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	109.4095	3.647	2	109.4095	13.297	2	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]C[5,6a]C[4x6]C[5,6])(C[3x6]C[3x6]O[6,6]H)(H)2{1|H<1>,1|N<2>,3|C<4>,4|C<3>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.2110	0.000	1	108.2110	0.000	1	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.5440	0.078	2	108.4119	0.095	11	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.2270	0.002	3	108.4119	0.095	11	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<2>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	109.2400	0.000	1	108.4119	0.095	11	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[3x6]C[4x6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[3x6]H)	H(C[6,6]C[5,3x6]C[3x6]H)	108.3044	0.123	5	108.4119	0.095	11	108.4927	0.557	44	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,3x6]C[5,6,6]H)	H(C[6,6]C[5,3x6]C[5,6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	H(C[6,6]C[5,3x6]C[5,6,6]H)	H(C[6,6]C[5,3x6]C[5,6,6]H)	108.6140	0.045	3	108.5957	0.003	4	108.5957	0.003	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2	H(C[6,6]C[5,3x6]C[5,6,6]H)	H(C[6,6]C[5,3x6]C[5,6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[5,6,6]C[5,3x6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,8|C<4>}	H(C[6,6]C[5,3x6]C[5,6,6]H)	H(C[6,6]C[5,3x6]C[5,6,6]H)	108.5410	0.000	1	108.5957	0.003	4	108.5957	0.003	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,3x6]H)(C[6,6]C[5,5,3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.3270	0.000	1	108.3270	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,5,6,6]C[5,6,6]H)(C[6,6]C[5,5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.2650	0.000	1	108.2650	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.1121	0.025	7	108.1258	0.016	25	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.2212	0.226	6	108.1258	0.016	25	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[4,5,6,6]C[5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0861	0.063	12	108.1258	0.016	25	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.1700	0.000	1	108.1920	0.022	4	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0680	0.000	1	108.1920	0.022	4	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.2650	0.197	2	108.1920	0.022	4	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]Cl)(C[6,6]C[3x6]HH)(H)2{2|Cl<1>,1|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.2700	0.000	1	108.2700	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,4x6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0130	0.000	1	108.0130	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[3x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0880	0.089	2	108.0880	0.008	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[5,6,6]H)(C[6,6]C[5,6]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.2600	0.000	1	108.2600	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]CH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	107.9520	0.000	1	107.9520	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]C[5])(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.8070	0.000	1	108.8070	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	107.9690	0.000	1	107.9880	0.001	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[4x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0070	0.000	1	107.9880	0.001	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6,6]C[6,6]N[5])(C[6,6]C[5,3x6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	107.8660	0.000	1	107.8660	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,5,6]C[5,6,6]C[6])(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.1500	0.000	1	108.1500	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|O<2>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0740	0.000	1	108.0740	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|C<4>,4|O<2>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.4050	0.000	1	108.4050	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2O[5])(C[6,6]C[5x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	109.5280	0.000	1	109.5280	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]2O[6,6])(C[6,6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.5720	0.000	1	108.5720	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	107.8650	0.000	1	108.1313	0.094	3	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.0630	0.000	1	108.1313	0.094	3	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.4660	0.000	1	108.1313	0.094	3	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.2615	0.285	2	108.2615	0.081	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.4710	0.000	1	108.4220	0.005	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[5,6a]C[6,6])(C[6,6]N[3x6]HH)(H)2{1|N<2>,2|C<4>,3|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.3730	0.000	1	108.4220	0.005	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]ClH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.1250	0.000	1	108.1250	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	109.5130	0.000	1	109.5130	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]N[5])(C[6,6]C[3x6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.6800	0.000	1	108.6800	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]C[5,6,6]C[6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.4945	0.049	2	108.4945	0.002	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	109.6320	0.000	1	108.9035	1.061	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.1750	0.000	1	108.9035	1.061	2	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	109.4780	0.000	1	109.4780	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	C[6,6](C[5,3x6]N[5,6,6]O[6,6]C[5])(C[6,6]C[3x6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,3x6]C[6,6]H)	H(C[6,6]C[5,3x6]C[6,6]H)	108.3330	0.000	1	108.3330	0.000	1	108.2781	0.150	62	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2	H(C[6,6]C[5,3x6]C[6x6]H)	H(C[6,6]C[5,3x6]C[6x6]H)	C[6,6](C[5,3x6]C[5,3x6]N[5,6,6]H)(C[6x6]C[4x6]2C[6,6])(H)2{1|C<3>,5|H<1>,6|C<4>}	H(C[6,6]C[5,3x6]C[6x6]H)	H(C[6,6]C[5,3x6]C[6x6]H)	109.2270	0.000	1	109.2270	0.000	1	109.2270	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[3,6,6]C[5,3x6]C[5,6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.4330	0.068	3	108.4330	0.005	3	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.3690	0.000	1	108.3935	0.001	2	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[3x5,3x6]C[5,5,3x6]H)(C[6,6]C[5,4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.4180	0.000	1	108.3935	0.001	2	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.3750	0.000	1	108.1555	0.369	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	107.2490	0.000	1	108.1555	0.369	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.5180	0.000	1	108.1555	0.369	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.4800	0.000	1	108.1555	0.369	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,3x6]C[5,6]O[6,6])(C[6,6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.3190	0.000	1	108.3190	0.000	1	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,6|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.2285	0.224	2	108.2343	0.017	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.2470	0.000	1	108.2343	0.017	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	C[6,6](C[5,4x6]C[5,6,6]C[3x6]C[5,6])(C[6,6]C[6x6]HH)(H)2{1|N<2>,1|O<2>,7|C<4>}	H(C[6,6]C[5,4x6]C[6,6]H)	H(C[6,6]C[5,4x6]C[6,6]H)	108.2330	0.000	1	108.2343	0.017	4	108.2831	0.103	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[3x5,6,6]C[5,6,6]N[5])(C[6,6]C[4x6]HH)(H)2{1|O<2>,4|C<3>,4|C<4>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	110.1240	0.000	1	110.1240	0.000	1	108.5260	0.622	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,3x6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.2340	0.000	1	108.2340	0.000	1	108.5260	0.622	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[4,5,5,6,6]C[3x5,6,6]H)(C[6,6]C[5,3x6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.2360	0.000	1	108.2360	0.000	1	108.5260	0.622	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[6,6])(C[6,6]C[3x6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.3580	0.000	1	108.3580	0.000	1	108.5260	0.622	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.1010	0.000	1	108.1020	0.000	2	108.5260	0.622	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	C[6,6](C[5,5,3x6]C[5,5,6,6]C[5,6,6]O[5])(C[6,6]C[3x6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,5,3x6]C[6,6]H)	H(C[6,6]C[5,5,3x6]C[6,6]H)	108.1030	0.000	1	108.1020	0.000	2	108.5260	0.622	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[3x5,6,6]2H)(H)2{6|H<1>,7|C<4>}	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	107.8480	0.000	1	107.8480	0.000	1	107.9279	0.004	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,4x6]-4:C[5,5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	C[6,6](C[5,5,4x6]C[5,5,3x6]2C[6,6])(C[5,5,6,6]C[5,5,6,6]2H)(H)2{2|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	H(C[6,6]C[5,5,4x6]C[5,5,6,6]H)	107.9393	0.054	7	107.9393	0.003	7	107.9279	0.004	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,5,6,6]C[3x6]H)	H(C[6,6]C[5,5,6,6]C[3x6]H)	C[6,6](C[5,5,6,6]C[5,5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{4|C<4>,4|O<2>,5|H<1>}	H(C[6,6]C[5,5,6,6]C[3x6]H)	H(C[6,6]C[5,5,6,6]C[3x6]H)	107.9770	0.000	1	107.9770	0.000	1	107.9770	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,5x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2	H(C[6,6]C[5,5,6,6]C[5,5x6]H)	H(C[6,6]C[5,5,6,6]C[5,5x6]H)	C[6,6](C[5,5,6,6]C[5,5,3x6]N[5,5,6,6]O)(C[5,5x6]C[5,3x6]2C[6,6])(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6,6]C[5,5,6,6]C[5,5x6]H)	H(C[6,6]C[5,5,6,6]C[5,5x6]H)	108.6855	1.036	4	108.6855	1.074	4	108.6855	1.074	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]2C[5])(C[6,6]C[6]O[6]O)(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	108.1290	0.102	2	108.1290	0.010	2	108.4148	0.052	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,3|C<3>,5|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	108.5200	0.000	1	108.5450	0.001	3	108.4148	0.052	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{1|N<3>,4|C<3>,4|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	108.5690	0.000	1	108.5450	0.001	3	108.4148	0.052	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6]N[5])(C[6,6]C[6,6a]O[6]H)(H)2{4|C<3>,5|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	108.5460	0.000	1	108.5450	0.001	3	108.4148	0.052	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	C[6,6](C[5,5,6,6]C[5,5,6]N[5,6]N[5])(C[6,6]C[6]2H)(H)2{2|H<1>,4|C<3>,4|C<4>}	H(C[6,6]C[5,5,6,6]C[6,6]H)	H(C[6,6]C[5,5,6,6]C[6,6]H)	108.5960	0.000	1	108.5960	0.000	1	108.4148	0.052	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2	H(C[6,6]C[5,5x6]C[6,6]H)	H(C[6,6]C[5,5x6]C[6,6]H)	C[6,6](C[5,5x6]C[4,5,4x6]C[5,5,4x6]H)(C[6,6]C[4,3x6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,5x6]C[6,6]H)	H(C[6,6]C[5,5x6]C[6,6]H)	106.4610	0.000	1	106.4610	0.000	1	106.4610	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[3x6]O[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2050	0.007	4	108.2050	0.000	4	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[3x6]S[5]2)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.0015	1.616	2	107.0015	2.611	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]2)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,5|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1190	0.000	1	108.1190	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]Br)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.3280	0.000	1	108.3280	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[3x6]C[6,6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.0145	0.019	2	108.0145	0.000	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.7900	0.000	1	107.7900	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.9200	0.000	1	107.9200	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6,6a]2H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.4315	0.066	2	108.4315	0.004	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	109.2360	0.000	1	108.1154	2.623	5	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2150	0.044	2	108.1154	2.623	5	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.4555	2.889	2	108.1154	2.623	5	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2740	0.000	1	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2097	0.086	3	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1100	0.000	1	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2750	0.030	2	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.3160	0.000	1	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.0010	0.000	1	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.5430	0.001	2	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2590	0.000	1	108.2687	0.025	12	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1610	0.000	1	108.1610	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]N[6,6]Cl)(H)2{1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	109.7880	0.571	2	109.7880	0.326	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]N[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.5630	0.000	1	108.5630	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]O[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.4005	0.043	2	108.4005	0.002	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]O[5]O)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.5225	0.032	2	108.5225	0.001	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2930	0.000	1	108.2327	0.003	3	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,3x6]S[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,3|O<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2025	0.012	2	108.2327	0.003	3	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]C)(C[3x6]C[6,6]2H)(H)2{1|O<1>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2160	0.000	1	108.2160	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1520	0.075	3	108.1554	0.003	8	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1850	0.000	1	108.1554	0.003	8	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.0800	0.000	1	108.1554	0.003	8	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,3|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1580	0.014	2	108.1554	0.003	8	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.2060	0.000	1	108.1554	0.003	8	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,4x6]C[5]H)(C[3x6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.1010	0.000	1	108.1010	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.7965	0.026	2	107.8020	0.000	3	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>,3|O<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	107.8130	0.000	1	107.8020	0.000	3	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,5,3x6]N[5]H)(C[3x6]C[5,6,6]C[6,6]H)(H)2{2|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.3060	0.000	1	108.3060	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[3x6]C[6,6]2H)(H)2{2|N<3>,4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	106.9780	0.000	2	106.9780	0.000	2	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]C[5,6a]C[3x6]C[5,5])(C[3x6]N[6,6,6a]C[6,6]H)(H)2{1|N<2>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	105.4920	0.000	1	105.4920	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]N[5,3x6]C[5,5]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.4280	0.000	1	108.4280	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	C[6,6](C[5,6,6]N[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[3x6]H)	H(C[6,6]C[5,6,6]C[3x6]H)	108.3020	0.000	1	108.3020	0.000	1	108.1306	0.554	61	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	107.9550	0.045	2	107.9550	0.002	2	107.8085	0.010	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	107.7496	0.063	9	107.7723	0.005	12	107.8085	0.010	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	107.8265	0.047	2	107.7723	0.005	12	107.8085	0.010	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5]H)(C[4,6,6]C[4,6]2H)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	107.8690	0.000	1	107.7723	0.005	12	107.8085	0.010	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	C[6,6](C[5,6,6]C[6,6]O[5]2)(C[4,6,6]C[4,6]2H)(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[6,6]C[4,6,6]C[5,6,6]H)	H(C[6,6]C[4,6,6]C[5,6,6]H)	107.9500	0.000	1	107.9500	0.000	1	107.8085	0.010	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]H)(H)2{2|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	109.9330	0.000	1	109.9330	0.000	1	108.4424	1.054	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[5,6,6]C[5,5,6]O[5,6]O)(H)2{2|O<2>,6|C<4>}	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	108.1800	0.000	1	108.1800	0.000	1	108.4424	1.054	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	C[6,6](C[5,6,6]C[5,6]2C)(C[5,6,6]C[5,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	106.9220	0.000	1	106.9220	0.000	1	108.4424	1.054	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)2(H)2	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	C[6,6](C[5,6,6]C[5,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	108.5190	0.922	3	108.5190	0.851	3	108.4424	1.054	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,6,6]C[5,6]2H)(H)2{2|O<2>,5|H<1>,6|C<4>}	H(C[6,6]C[5,6,6]2H)	H(C[6,6]C[5,6,6]2H)	108.5050	0.000	1	108.5050	0.000	1	108.4424	1.054	7	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2	H(C[6,6]C[5,6,6]C[5x6]H)	H(C[6,6]C[5,6,6]C[5x6]H)	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[5x6]C[5,4x6]C[6,6]2)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,7|C<4>}	H(C[6,6]C[5,6,6]C[5x6]H)	H(C[6,6]C[5,6,6]C[5x6]H)	107.0350	0.000	1	107.0350	0.000	1	107.0350	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[4,5,6,6]C[5]H)(C[6,6]C[4,5,6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	107.7790	0.000	1	107.7790	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[4,6,6]C[5]N[5])(C[6,6]C[4,6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	107.4390	0.000	1	107.4390	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[4,6,6]C[5]O[5])(C[6,6]C[4,6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	107.4330	0.139	3	107.4330	0.019	3	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.5690	0.000	1	108.5690	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.3530	0.000	1	108.3530	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	106.0410	0.000	1	106.7280	0.944	2	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,5,6]H)(C[6,6]C[5,6]C[6]H)(H)2{2|O<2>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	107.4150	0.000	1	106.7280	0.944	2	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<2>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.2250	0.000	1	108.1533	1.038	55	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	107.5602	2.293	9	108.1533	1.038	55	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.2703	0.482	45	108.1533	1.038	55	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	109.9310	0.000	1	108.6440	0.369	8	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	109.2000	0.000	1	108.6440	0.369	8	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.2260	0.014	2	108.6440	0.369	8	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.3980	0.000	1	108.6440	0.369	8	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{3|C<4>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.3903	0.079	3	108.6440	0.369	8	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6]O[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.3380	0.000	1	108.3380	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6,6]O[5,6]C)(C[6,6]C[6]2H)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.5080	0.000	1	108.5080	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[3,3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.0930	0.000	1	108.0930	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.3420	0.000	1	108.4020	0.007	2	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]C[6]2H)(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.4620	0.000	1	108.4020	0.007	2	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6,6]N[6]2C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.4590	0.023	4	108.4590	0.001	4	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[5,6]O[6]H)(H)2{2|C<3>,2|H<1>,3|O<2>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.4360	0.000	1	108.4360	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.3805	0.114	2	108.3805	0.013	2	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6]O[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.4320	0.000	1	108.4320	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6]N[5,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.6420	0.000	1	108.6420	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.6180	0.000	1	108.6180	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.4580	0.000	1	108.4580	0.000	1	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.9178	0.396	5	108.7413	0.128	10	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|O<1>,6|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.4570	0.247	3	108.7413	0.128	10	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6]C[6]2H)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6]H)	H(C[6,6]C[5,6,6]C[6,6]H)	108.7265	0.026	2	108.7413	0.128	10	108.2430	0.756	98	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[5x6]H)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[5x6]C[3x6]C[5x6]C[6,6])(C[3x6]C[6,6]2H)(H)2{1|I<1>,6|C<4>,6|H<1>}	H(C[6,6]C[3x6]C[5x6]H)	H(C[6,6]C[3x6]C[5x6]H)	108.0280	0.000	1	108.0280	0.000	1	107.9600	0.009	2	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2	H(C[6,6]C[3x6]C[5x6]H)	H(C[6,6]C[3x6]C[5x6]H)	C[6,6](C[5x6]C[6,6,6a]2C[5x6])(C[3x6]C[6,6,6a]2C)(H)2{1|C<4>,8|C<3>}	H(C[6,6]C[3x6]C[5x6]H)	H(C[6,6]C[3x6]C[5x6]H)	107.8920	0.000	1	107.8920	0.000	1	107.9600	0.009	2	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.3595	0.030	2	108.2872	0.005	6	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.3190	0.000	1	108.2872	0.005	6	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]CH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.2283	0.048	3	108.2872	0.005	6	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClC)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	119.8630	0.000	1	119.8630	0.000	1	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]ClH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.3570	0.000	1	108.3570	0.000	1	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	107.9220	0.000	1	108.0632	0.014	4	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[3x6]HO)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.1103	0.087	3	108.0632	0.014	4	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5,4x6]C[6,6]2)(C[6,6]C[5,3x6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.0780	0.000	1	108.0780	0.000	1	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	C[6,6](C[5x6]C[5x6]C[6x6]H)(C[6,6]C[4x6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[5x6]C[6,6]H)	H(C[6,6]C[5x6]C[6,6]H)	108.3330	0.000	1	108.3330	0.000	1	109.0434	9.717	14	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2	H(C[6,6]C[3,6,6]C[6,6]H)	H(C[6,6]C[3,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[3,6,6]C[3,6]2H)(H)2{1|H<1>,1|S<4>,4|C<3>}	H(C[6,6]C[3,6,6]C[6,6]H)	H(C[6,6]C[3,6,6]C[6,6]H)	108.1220	0.000	1	108.1220	0.000	1	108.1220	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4140	0.000	1	108.2440	0.009	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1785	0.043	2	108.2440	0.009	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2760	0.000	1	108.2440	0.009	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,2|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2790	0.099	2	108.2440	0.009	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1950	0.000	1	108.2440	0.009	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]C)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1520	0.000	1	108.2440	0.009	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4970	0.000	1	108.2643	0.015	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[5a]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2310	0.087	7	108.2643	0.015	8	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,1|O<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9637	0.037	3	108.0048	0.004	6	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2Cl)(H)2{2|Cl<1>,2|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0460	0.053	3	108.0048	0.004	6	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|C<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9310	0.000	1	107.9310	0.000	1	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[4x6]C[6a]H)(C[3x6]C[6,6]2H)(H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1297	0.030	3	108.1297	0.001	3	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2700	0.000	1	108.7241	0.473	7	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.7328	0.799	4	108.7241	0.473	7	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	109.4930	0.000	1	108.7241	0.473	7	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3750	0.000	1	108.7241	0.473	7	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{1|H<1>,2|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3170	0.000	1	108.3885	0.010	2	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HH)(C[3x6]O[6,6]2C)(H)2{3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4600	0.000	1	108.3885	0.010	2	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.2350	0.000	1	108.1610	0.011	2	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,3x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0870	0.000	1	108.1610	0.011	2	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0350	0.042	2	109.0552	5.769	6	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.0995	0.078	2	109.0552	5.769	6	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1050	0.000	1	109.0552	5.769	6	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HH)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	113.9570	0.000	1	109.0552	5.769	6	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,4x6]HN)(C[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	106.7260	0.000	1	106.7260	0.000	1	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,5,3x6]CC)(C[3x6]C[6,6]2H)(H)2{1|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	107.9350	0.000	1	107.9350	0.000	1	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1160	0.000	1	108.1160	0.000	1	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5,6]O[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4210	0.074	2	108.4210	0.005	2	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3330	0.000	1	108.3330	0.000	1	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.5240	0.000	1	108.3820	0.017	3	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]C[6]N[6]H)(C[3x6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.3110	0.057	2	108.3820	0.017	3	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[3x6]C[6]H)(C[3x6]C[6,6]2H)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.4370	0.004	2	108.4370	0.000	2	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	C[6,6](C[6,6]N[5,3x6]HH)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]C[6,6]H)	H(C[6,6]C[3x6]C[6,6]H)	108.1850	0.000	1	108.1850	0.000	1	108.3467	0.742	55	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]B[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|F<1>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	104.1960	4.195	2	104.1960	17.594	2	106.9484	5.440	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[5,5]H)(C[4,6,6]C[4,6]2H)(H)2{1|B<4>,3|H<1>,6|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	107.7165	0.029	4	107.7165	0.001	4	106.9484	5.440	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.0910	0.000	1	108.1645	0.011	2	106.9484	5.440	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[4,6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	C[6,6](C[6,6]C[6,6]N[6]H)(C[4,6,6]C[4,6]2H)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[4,6,6]C[6,6]H)	H(C[6,6]C[4,6,6]C[6,6]H)	108.2380	0.000	1	108.1645	0.011	2	106.9484	5.440	8	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,3x6]HH)(C[6,6]C[4,6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.4720	0.000	1	109.4720	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CH)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.4810	0.190	18	107.4810	0.036	18	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CN)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.3520	0.144	2	107.3520	0.021	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]CO)(C[6,6]C[4,6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.4563	0.061	3	107.4563	0.004	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.5194	0.070	9	107.5194	0.005	9	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.7050	0.000	1	107.4200	0.074	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{1|H<1>,1|S<2>,2|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.1610	0.000	1	107.4200	0.074	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[4,6,6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.3940	0.000	1	107.4200	0.074	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4140	0.000	1	108.4140	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,5,6]N[6]H)(C[6,6]C[6]2H)(H)2{3|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3090	0.000	1	108.3090	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6,6]C[5,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1500	0.000	1	108.1500	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3290	0.000	1	108.3290	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]C[6]H)2(H)2{2|C<4>,4|H<1>,4|O<2>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3140	0.000	1	108.3140	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5,6]N[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2150	0.000	1	108.2150	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6]O[6]2C)(H)2{1|S<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5050	0.000	1	108.5050	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6,6]C[6]2H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1430	0.000	1	108.1430	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6]H)2(H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1230	0.000	1	108.1230	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]C[6a]O[6])(C[6,6]C[6,6a]C[5,6]H)(H)2{1|N<3>,7|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3365	0.078	2	108.3365	0.006	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[5a,6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1460	0.000	1	108.1460	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|C<4>,2|H<1>,2|S<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.9105	0.641	2	108.8117	0.235	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[5,6]C[6]H)(H)2{1|H<1>,2|C<4>,2|S<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6140	0.000	1	108.8117	0.235	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1690	0.000	1	108.0282	0.282	5	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2890	0.000	1	108.0282	0.282	5	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4010	0.000	1	108.0282	0.282	5	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.0920	0.000	1	108.0282	0.282	5	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|N<3>,1|S<4>,2|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1900	0.000	1	108.0282	0.282	5	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1460	0.000	1	108.1460	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.7055	0.019	2	109.1940	1.173	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	110.8150	0.000	1	109.1940	1.173	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5500	0.000	1	109.1940	1.173	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	105.6010	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,1|C<4>,2|N<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1360	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4370	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	105.6540	1.237	2	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5666	0.048	5	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<3>,1|N<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6540	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{1|O<1>,2|N<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5610	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6900	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.7455	0.052	2	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	110.5490	0.000	1	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,2|N<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.7265	2.213	24	108.4924	3.706	40	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6]H)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5190	0.000	1	108.5190	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2C)(C[6,6]O[6]2O)(H)2{4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	110.1320	0.000	1	110.1320	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2H)(C[6,6]C[6]2H)(H)2{3|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2750	0.000	1	108.2750	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]2H)2(H)2{2|N<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5060	0.000	1	108.5060	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[5a]O[6]2)(H)2{1|S<2>,5|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5620	0.000	1	108.5620	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4525	0.210	2	108.4273	0.024	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6]C)(H)2{2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3770	0.000	1	108.4273	0.024	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6a]N[6]O[6])(H)2{1|H<1>,6|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4640	0.023	2	108.4640	0.001	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]N[6]2H)(H)2{1|C<4>,5|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5890	0.000	1	108.5890	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]N[6]H)(H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.9190	0.000	1	107.9190	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.0270	0.000	1	108.0270	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6307	0.089	3	108.5970	0.010	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4960	0.000	1	108.5970	0.010	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.7090	0.023	2	108.7090	0.001	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5090	0.000	1	108.5090	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,2|N<3>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5610	0.000	1	108.4444	2.797	17	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|N<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4371	1.727	16	108.4444	2.797	17	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3085	0.053	2	108.3085	0.003	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2290	0.000	1	108.2485	0.000	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2550	0.014	3	108.2485	0.000	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5120	0.000	1	108.5355	0.002	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5175	0.021	2	108.5355	0.002	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5950	0.000	1	108.5355	0.002	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]O[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3180	0.045	2	108.3180	0.002	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6a]O[6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3380	0.000	1	108.3380	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4230	0.000	1	108.4285	0.000	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4340	0.000	1	108.4285	0.000	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6040	0.000	1	108.5475	0.006	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]N[6]O[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4910	0.000	1	108.5475	0.006	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]O[6]2H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5597	0.058	3	108.5597	0.003	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2500	0.177	2	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|Br<1>,2|C<3>,2|H<1>,2|N<2>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.4460	0.039	3	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|Br<1>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.5060	0.000	1	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|C<3>,2|N<2>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.4350	0.091	2	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5910	0.000	1	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|N<2>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3315	0.078	2	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{2|O<1>,4|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3585	0.076	2	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]H)2(H)2{4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3155	0.080	2	108.7877	0.326	15	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]O)(C[6,6]C[6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2340	0.000	1	108.2340	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]C[6]O[6])(C[6,6]C[6,6a]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3560	0.000	1	108.3560	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]N[5,6]H)(C[6,6]N[6]O[6]C)(H)2{1|C<4>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5230	0.000	1	108.5230	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]N[5a,6]O[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3998	0.009	5	108.3998	0.000	5	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4800	0.000	1	108.4393	0.002	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4190	0.025	2	108.4393	0.002	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6,6a]O[6]H)(C[6,6]C[6]N[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6270	0.066	4	108.6270	0.004	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|B<4>,1|C<3>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.9480	0.000	1	108.7425	0.554	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.3765	0.052	2	108.7425	0.554	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2690	0.000	1	108.7425	0.554	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3600	0.124	2	108.2448	0.774	17	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.9946	0.346	13	108.2448	0.774	17	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2C)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2C)2(H)2{1|C<4>,1|N<3>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.7555	2.350	2	108.2448	0.774	17	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|B<4>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.0040	0.699	2	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4047	0.050	3	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|C<4>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.0960	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4320	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3200	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,1|N<4>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.7430	0.017	2	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.3053	1.973	3	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3167	1.630	4	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|C<3>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1030	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|C<4>,2|N<3>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5880	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|H<1>,1|O<2>,2|C<4>,2|N<3>,2|O<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.7790	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4400	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|S<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1545	0.026	2	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|N<3>,1|S<3>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	105.8500	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.5240	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4130	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.8900	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Rh<6>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.7553	1.829	4	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4320	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3530	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<10>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4220	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6320	0.007	2	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5185	0.049	4	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<8>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4660	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{1|Ru<9>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4660	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3910	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|H<1>,2|O<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5380	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<3>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4940	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,2|N<3>,2|O<1>,2|O<2>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	105.2770	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2820	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2826	0.212	17	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,4|O<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5985	0.073	2	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<3>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5650	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|N<4>,8|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5775	0.088	4	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.4680	0.000	1	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2H)2(H)2{3|C<4>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4100	0.102	2	108.3686	0.824	74	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<1>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3220	0.000	1	108.3323	0.004	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]2Si)(C[6,6]C[6]2H)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3375	0.083	2	108.3323	0.004	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	110.7930	0.000	1	109.5870	2.909	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]H)(C[6,6]C[6]2H)(H)2{2|C<4>,7|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3810	0.000	1	109.5870	2.909	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4740	0.040	2	108.4562	0.001	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4210	0.000	1	108.4562	0.001	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]N[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4560	0.000	1	108.4562	0.001	4	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]C)(C[6,6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1670	0.000	1	108.1670	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)(C[6,6]C[6]2H)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	109.9215	2.136	2	109.9215	4.563	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1682	0.982	5	108.2452	0.807	6	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]O[6]H)2(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.6300	0.000	1	108.2452	0.807	6	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6]P[6]H)(C[6,6]C[6]2H)(H)2{1|Se<1>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.9000	0.000	1	107.9000	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(H)2{1|C<4>,6|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4360	0.008	2	108.4360	0.000	2	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2C)(H)2{6|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.2140	0.000	1	108.2140	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]O[6]2)(C[6,6]C[6,6a]2H)(H)2{6|C<3>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.4890	0.029	6	108.4890	0.001	6	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]C[6a]Si[6]C[6])(C[6,6]Si[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	107.7590	0.000	1	107.7590	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[5,6]C[6]O)(C[6,6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.5250	0.000	1	108.5250	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[5a,6]N[6]H)(C[6,6]C[6]2H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.3627	0.069	3	108.3627	0.005	3	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[6]2H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]N[6]2H)2(H)2{2|C<3>,4|C<4>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.8500	0.000	1	108.8500	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]Si[6]C[6]H)2(H)2	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	C[6,6](C[6,6]Si[6]C[6]H)2(H)2{1|N<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6]2H)	108.1140	0.000	1	108.1140	0.000	1	108.3507	1.063	318	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8907	0.072	4	107.8907	0.005	4	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4845	0.880	10	108.4845	0.774	10	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4130	0.000	1	108.7716	2.197	39	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.7810	1.501	38	108.7716	2.197	39	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	109.4250	0.000	1	108.3755	0.490	4	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2B)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0257	0.029	3	108.3755	0.490	4	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2540	0.058	5	108.0976	0.137	13	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9999	0.452	8	108.0976	0.137	13	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2F)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	109.4380	0.089	2	109.4380	0.008	2	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3140	0.000	1	108.4327	0.932	175	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1780	0.041	4	108.4327	0.932	175	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3160	0.093	3	108.4327	0.932	175	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|F<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1921	0.188	8	108.4327	0.932	175	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3320	0.390	120	108.4327	0.932	175	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.8303	1.889	39	108.4327	0.932	175	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HN)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	109.4100	0.139	5	109.4100	0.019	5	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1510	0.058	2	108.1510	0.003	2	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1241	0.145	35	108.1241	0.021	35	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]C[3x6]N[6]H)(N[3x6]C[6,6]2H)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1570	0.000	1	108.1570	0.000	1	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]CH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4133	0.051	3	108.4133	0.003	3	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ag<6>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2640	0.068	3	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	112.8590	0.000	1	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Co<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3132	0.092	5	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2645	0.080	2	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Fe<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3877	0.083	3	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Mn<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3998	0.069	5	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Ni<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8673	0.899	33	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2848	0.037	5	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4876	1.205	105	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1871	0.112	45	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{2|H<1>,3|C<4>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	117.9670	0.000	1	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2C)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1946	0.132	120	108.3076	0.934	328	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4795	0.019	2	108.3762	0.017	12	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2D)(H)2{1|D<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3556	0.134	10	108.3762	0.017	12	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	112.8985	7.191	2	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cd<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.5125	0.107	2	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Co<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4560	0.023	3	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3935	0.085	4	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4353	0.068	3	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Pt<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2935	0.029	2	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{1|Zn<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4268	0.097	6	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	109.2005	2.077	2	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.7477	1.245	165	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.5768	1.032	674	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2H)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3502	0.123	42	108.6050	1.187	905	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3367	0.068	4	108.4031	0.007	9	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4130	0.059	2	108.4031	0.007	9	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](C[6,6]N[3x6]HH)(N[3x6]C[6,6]2O)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4850	0.032	3	108.4031	0.007	9	108.5077	1.084	1547	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]C[4,6,6]HH)(N[6,6]C[4,6,6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	107.6390	0.000	1	107.6390	0.000	1	108.2425	0.162	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	C[6,6](C[6,6]O[6]2N)(N[6,6]C[6]2C)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[6,6]H)	H(C[6,6]C[6,6]N[6,6]H)	108.4437	0.016	3	108.4437	0.000	3	108.2425	0.162	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2	H(C[6,6]C[6,6]P[3x6]H)	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2B)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	H(C[6,6]C[6,6]P[3x6]H)	109.1443	1.269	3	109.1443	1.611	3	109.2952	0.482	9	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2	H(C[6,6]C[6,6]P[3x6]H)	H(C[6,6]C[6,6]P[3x6]H)	C[6,6](C[6,6]Si[3x6]HH)(P[3x6]C[6,6]2Pt)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]P[3x6]H)	H(C[6,6]C[6,6]P[3x6]H)	109.3707	0.327	6	109.3707	0.107	6	109.2952	0.482	9	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2	H(C[6,6]C[6,6]P[6,6]H)	H(C[6,6]C[6,6]P[6,6]H)	C[6,6](C[6,6]C[6]2O)(P[6,6]C[6]2S)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[6,6]P[6,6]H)	H(C[6,6]C[6,6]P[6,6]H)	110.3900	0.000	1	110.3900	0.000	1	110.3900	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2C)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	107.7793	1.370	3	107.7793	1.877	3	107.2462	3.388	21	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	107.7767	0.691	3	107.7767	0.477	3	107.2462	3.388	21	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	112.2110	0.000	1	112.2110	0.000	1	107.2462	3.388	21	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{1|O<2>,5|C<4>,7|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	106.1543	1.592	3	106.4403	2.492	12	107.2462	3.388	21	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2H)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	106.5356	1.659	9	106.4403	2.492	12	107.2462	3.388	21	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	C[6,6](C[6x6]C[6,6]C[6x6]2)(C[3x6]C[6,6]2P)(H)2{5|C<4>,8|H<1>}	H(C[6,6]C[3x6]C[6x6]H)	H(C[6,6]C[3x6]C[6x6]H)	108.0040	0.594	2	108.0040	0.353	2	107.2462	3.388	21	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[4x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2	H(C[6,6]C[4x6]C[6x6]H)	H(C[6,6]C[4x6]C[6x6]H)	C[6,6](C[6x6]C[5x6]2C[6,6])(C[4x6]C[4x6]2H)(H)2{6|H<1>,7|C<4>}	H(C[6,6]C[4x6]C[6x6]H)	H(C[6,6]C[4x6]C[6x6]H)	108.9017	3.215	3	108.9017	10.335	3	108.9017	10.335	3	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	108.1520	0.000	1	108.1520	0.000	1	108.1052	0.009	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[3x6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	108.0370	0.000	1	108.0370	0.000	1	108.1052	0.009	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[4x6]HH)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	108.1405	0.100	2	108.1405	0.010	2	108.1052	0.009	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	C[6x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	C[6,6](C[6x6]C[4x6]2C[6,6])(C[6,6]C[5,4x6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6]C[6x6]H)	H(C[6,6]C[6,6]C[6x6]H)	108.0805	0.156	2	108.0805	0.024	2	108.1052	0.009	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]B[3x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{5|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9910	0.014	2	107.9910	0.000	2	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]B[4x3,4x5,4x6]C[6,6]2)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|B<6>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9620	0.098	3	107.9620	0.010	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[5,4x6]C[6,6]H)(C[6,6]N[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.4717	0.040	3	108.4717	0.002	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ag)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0010	0.118	3	108.0010	0.014	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]CH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0485	0.095	2	108.0485	0.009	2	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9900	0.045	2	108.0095	0.001	4	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Al)(C[6,6]C[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0290	0.018	2	108.0095	0.001	4	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cd)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0000	0.180	3	108.0000	0.032	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0140	0.000	1	108.0428	0.007	6	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Co)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0486	0.095	5	108.0428	0.007	6	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0410	0.386	4	108.0410	0.149	4	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|Cu<5>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.2150	0.030	5	108.1471	0.010	20	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{1|D<1>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1120	0.016	2	108.1471	0.010	20	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1823	0.072	7	108.1471	0.010	20	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.1420	0.135	3	108.1471	0.010	20	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9803	0.015	3	108.1471	0.010	20	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Fe)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9885	0.026	2	107.9885	0.001	2	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0597	9.759	3	108.0212	27.213	8	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ga)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9982	0.046	5	108.0212	27.213	8	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2In)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9261	0.392	8	107.9261	0.153	8	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.8740	3.055	4	107.8740	9.335	4	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Li)(C[6,6]N[3x6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0822	0.049	5	108.0822	0.002	5	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Mn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0333	0.062	3	108.0333	0.004	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Ni)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.3797	1.295	35	108.3797	1.676	35	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Pt)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9810	0.041	3	107.9810	0.002	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Sn)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Sn)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9117	0.064	3	107.9117	0.004	3	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]C[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9614	0.074	5	107.9614	0.006	5	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	108.0212	0.134	6	108.0019	0.015	10	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]C[6,6]2Zn)(C[6,6]N[3x6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.9730	0.119	4	108.0019	0.015	10	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	C[6,6](N[3x6]Ga[6,6]O[6,6]C)(C[6,6]N[3x6]HH)(H)2{1|Ga<4>,1|O<2>,3|C<4>}	H(C[6,6]C[6,6]N[3x6]H)	H(C[6,6]C[6,6]N[3x6]H)	107.6702	0.100	6	107.6702	0.010	6	108.1068	2.007	142	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2C)(N[3x6]C[6,6]2H)(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.1762	0.046	5	108.1762	0.002	5	108.1014	0.038	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Cu)2(H)2{1|N<4>,1|P<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.6530	0.000	1	107.6530	0.000	1	108.1014	0.038	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Fe)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2Fe)2(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	107.8300	0.000	1	107.8300	0.000	1	108.1014	0.038	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)2(H)2{1|N<3>,1|N<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.0667	0.029	3	108.1706	0.021	5	108.1014	0.038	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2H)2(H)2	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	C[6,6](N[3x6]C[6,6]2H)2(H)2{2|C<4>,8|H<1>}	H(C[6,6]N[3x6]2H)	H(C[6,6]N[3x6]2H)	108.3265	0.032	2	108.1706	0.021	5	108.1014	0.038	12	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2C)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.4630	0.000	1	108.4630	0.000	1	108.1250	0.060	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Co)(P[3x6]C[6,6]2O)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2Co)(P[3x6]C[6,6]2O)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.0540	0.000	1	108.0540	0.000	1	108.1250	0.060	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Cu)(P[3x6]C[6,6]2O)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2Cu)(P[3x6]C[6,6]2O)(H)2{2|N<4>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.1040	0.000	1	108.1040	0.000	1	108.1250	0.060	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[3x6]-4:P[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2Pd)(P[3x6]C[6,6]2N)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](N[3x6]C[6,6]2Pd)(P[3x6]C[6,6]2N)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8790	0.000	1	107.8790	0.000	1	108.1250	0.060	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[4x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2	H(C[6,6]C[6,6]N[4x6]H)	H(C[6,6]C[6,6]N[4x6]H)	C[6,6](N[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]C[6,6]N[4x6]H)	H(C[6,6]C[6,6]N[4x6]H)	108.3040	0.000	1	108.3040	0.000	1	108.3040	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[5,3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2	H(C[6,6]N[5,3x6]C[6,6]H)	H(C[6,6]N[5,3x6]C[6,6]H)	C[6,6](N[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]CH)(H)2{4|C<4>,6|H<1>}	H(C[6,6]N[5,3x6]C[6,6]H)	H(C[6,6]N[5,3x6]C[6,6]H)	108.2490	0.000	1	108.2490	0.000	1	108.2490	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	N[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2	H(C[6,6]N[5,6,6]C[6,6]H)	H(C[6,6]N[5,6,6]C[6,6]H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]N[5,6,6]C[6,6]H)	H(C[6,6]N[5,6,6]C[6,6]H)	108.5410	0.000	1	108.5410	0.000	1	108.5410	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Cu)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8143	0.050	3	107.8143	0.002	3	108.1479	1.402	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pd)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.2210	0.000	1	108.2210	0.000	1	108.1479	1.402	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Pt)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.2390	0.000	1	108.2390	0.000	1	108.1479	1.402	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Re)(N[3x6]C[6,6]2H)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	107.8985	0.104	2	107.8985	0.011	2	108.1479	1.402	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[3x6]-4:N[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	C[6,6](P[3x6]C[6,6]2Ru)(N[3x6]C[6,6]2C)(H)2{2|N<3>,8|H<1>}	H(C[6,6]N[3x6]P[3x6]H)	H(C[6,6]N[3x6]P[3x6]H)	108.3148	1.644	8	108.3148	2.703	8	108.1479	1.402	15	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[3x6]PdC)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]P[6,6]H)	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](P[6,6]C[3x6]PdC)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]P[6,6]H)	H(C[6,6]C[3x6]P[6,6]H)	108.0505	0.144	2	108.0505	0.021	2	108.0810	0.012	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[3x6]PtC)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]P[6,6]H)	H(C[6,6]C[3x6]P[6,6]H)	C[6,6](P[6,6]C[3x6]PtC)(C[3x6]C[6,6]2H)(H)2{3|H<1>,4|C<4>}	H(C[6,6]C[3x6]P[6,6]H)	H(C[6,6]C[3x6]P[6,6]H)	108.1115	0.114	2	108.1115	0.013	2	108.0810	0.012	4	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:P[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]C[4,6,6]C[6a]2)2(H)2	H(C[6,6]P[6,6]2H)	H(C[6,6]P[6,6]2H)	C[6,6](P[6,6]C[4,6,6]C[6a]2)2(H)2{2|C<4>,2|H<1>,8|C<3>}	H(C[6,6]P[6,6]2H)	H(C[6,6]P[6,6]2H)	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	H(C[6,6]Si[3x6]P[6,6]H)	H(C[6,6]Si[3x6]P[6,6]H)	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Ge<2>,2|C<2>,2|P<4>,4|H<1>}	H(C[6,6]Si[3x6]P[6,6]H)	H(C[6,6]Si[3x6]P[6,6]H)	107.4303	0.071	3	107.4485	0.011	6	107.4485	0.011	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:Si[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2	H(C[6,6]Si[3x6]P[6,6]H)	H(C[6,6]Si[3x6]P[6,6]H)	C[6,6](P[6,6]Nb[3x6]CC)(Si[3x6]C[6,6]2C)(H)2{1|Sn<2>,2|C<2>,2|P<4>,4|H<1>}	H(C[6,6]Si[3x6]P[6,6]H)	H(C[6,6]Si[3x6]P[6,6]H)	107.4667	0.147	3	107.4485	0.011	6	107.4485	0.011	6	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|B<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	108.7933	0.342	3	109.5222	3.397	12	109.3463	3.516	13	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	109.2025	0.489	6	109.5222	3.397	12	109.3463	3.516	13	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]C[6,6]2C[6a])(C[6,6]P[3x6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	110.8903	3.749	3	109.5222	3.397	12	109.3463	3.516	13	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	4:4:1:1:	4:	4:	Si[3x6]-4:C[6,6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	C[6,6](Si[3x6]Si[6,6]2Si)(C[6,6]Si[3x6]HH)(H)2{3|Si<4>,4|C<4>}	H(C[6,6]Si[3x6]C[6,6]H)	H(C[6,6]Si[3x6]C[6,6]H)	107.2360	0.000	1	107.2360	0.000	1	109.3463	3.516	13	108.2475	1.459	8516	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6,6]	H	H	5:4:1:1:	4:	4:	C[3x6]-5:C[3x6]-4:H-1:H-1:	C[6,6]-4:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2NU)(C[3x6]C[6,6]2H)(H)2	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	C[6,6](C[3x6]C[6,6]2NU)(C[3x6]C[6,6]2H)(H)2{2|C<4>,8|H<1>}	H(C[6,6]C[3x6]2H)	H(C[6,6]C[3x6]2H)	108.4612	1.687	6	108.4612	2.847	6	108.4612	2.847	6	108.4612	2.847	6	108.2438	1.717	11138	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	C[6]-2:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6])2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6])2(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2020	0.000	1	108.2020	0.000	1	108.2020	0.000	1	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	N[6]-2:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a])(N[6]S[6])(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a])(N[6]S[6])(H)2{2|C<3>,2|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.8260	0.000	1	107.8260	0.000	1	107.8260	0.000	1	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(O[6]C[6])(H)2	H(C[6]O[6]2H)	H(C[6]O[6]2H)	C[6](O[6]C[6,6])(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]O[6]2H)	H(C[6]O[6]2H)	108.0300	0.000	1	108.0300	0.000	1	108.9172	2.434	13	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])2(H)2	H(C[6]O[6]2H)	H(C[6]O[6]2H)	C[6](O[6]C[6,6])2(H)2{2|H<1>,3|C<4>}	H(C[6]O[6]2H)	H(C[6]O[6]2H)	110.0296	2.070	5	110.0296	4.284	5	108.9172	2.434	13	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(O[6]C[6])(H)2	H(C[6]O[6]2H)	H(C[6]O[6]2H)	C[6](O[6]C[6,6a])(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]O[6]2H)	H(C[6]O[6]2H)	107.9280	0.000	1	107.9280	0.000	1	108.9172	2.434	13	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(H)2	H(C[6]O[6]2H)	H(C[6]O[6]2H)	C[6](O[6]C[6])2(H)2{1|C<4>,4|H<1>}	H(C[6]O[6]2H)	H(C[6]O[6]2H)	108.3702	0.655	5	108.3028	0.371	6	108.9172	2.434	13	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	O[6]-2:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6])2(H)2	H(C[6]O[6]2H)	H(C[6]O[6]2H)	C[6](O[6]C[6])2(H)2{2|C<4>,3|H<1>}	H(C[6]O[6]2H)	H(C[6]O[6]2H)	107.9660	0.000	1	108.3028	0.371	6	108.9172	2.434	13	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	S[6]-2:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6])2(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6])2(H)2{1|N<3>,2|N<2>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.7420	0.000	1	107.3296	5.388	7	107.3296	5.388	7	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	S[6]-2:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6])2(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6])2(H)2{1|N<4>,4|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	106.9797	3.222	4	107.3296	5.388	7	107.3296	5.388	7	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	S[6]-2:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6])2(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6])2(H)2{1|S<3>,2|C<4>,2|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.9520	0.000	1	107.3296	5.388	7	107.3296	5.388	7	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:2:1:1:	4:	4:	S[6]-2:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6])2(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6])2(H)2{1|Si<4>,4|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.6940	0.000	1	107.3296	5.388	7	107.3296	5.388	7	108.3299	3.490	22	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	N[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2{2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7360	0.000	1	107.7360	0.000	1	107.5390	0.078	2	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	N[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3420	0.000	1	107.3420	0.000	1	107.5390	0.078	2	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	N[6]-2:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.6120	0.000	1	107.6120	0.000	1	107.7675	0.048	2	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	N[6]-2:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9230	0.000	1	107.9230	0.000	1	107.7675	0.048	2	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8310	0.000	1	107.8310	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.4890	0.000	1	109.4890	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9240	0.000	1	107.9240	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9533	0.093	3	107.9533	0.009	3	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.1080	0.000	1	107.1080	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7940	0.051	3	108.4072	1.097	5	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(H)2{2|H<1>,3|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.3270	1.250	2	108.4072	1.097	5	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8360	0.000	1	107.7743	0.004	3	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7710	0.000	1	107.7743	0.004	3	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7160	0.000	1	107.7743	0.004	3	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7740	0.000	1	107.6715	0.021	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5690	0.000	1	107.6715	0.021	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5260	0.000	1	107.5260	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]C[6]S)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8050	0.000	1	107.8050	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4240	0.000	1	107.5736	0.053	7	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6983	0.330	3	107.5736	0.053	7	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4675	0.101	2	107.5736	0.053	7	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6])(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5610	0.000	1	107.5736	0.053	7	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|Cl<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.3220	0.355	2	107.7624	0.054	28	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1090	0.000	1	107.7624	0.054	28	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5750	0.081	2	107.7624	0.054	28	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8006	0.159	20	107.7624	0.054	28	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8110	0.345	3	107.7624	0.054	28	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1195	0.043	2	108.1393	0.002	3	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1790	0.000	1	108.1393	0.002	3	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{1|Se<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9230	0.000	1	107.7660	0.049	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]I)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6090	0.000	1	107.7660	0.049	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7980	0.025	2	107.7980	0.001	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]P)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0640	0.165	2	108.0640	0.027	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4690	0.340	9	107.5997	0.173	12	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6920	0.000	1	107.5997	0.173	12	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]O)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1420	0.475	2	107.5997	0.173	12	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]C)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9760	0.000	1	107.9760	0.000	1	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]C)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8675	0.083	2	107.8675	0.007	2	107.8101	0.195	78	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](O[6]B[3x6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	108.0220	0.042	2	108.0220	0.002	2	107.8417	2.486	23	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	O[6]-2:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](O[6]C[6,6a])(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.8245	1.652	21	107.8245	2.731	21	107.8417	2.486	23	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8403	1.609	9	107.8403	2.588	9	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2{1|N<2>,1|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.9710	0.000	1	107.5070	0.575	2	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]N[6]C)(H)2{2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0430	0.000	1	107.5070	0.575	2	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]S[6]C)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6270	0.000	1	107.6270	0.000	1	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6])(C[6]S[6]H)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.3934	23.743	2	106.3934	563.714	2	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]Se)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9137	0.090	3	107.9137	0.008	3	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5540	0.000	1	107.5540	0.000	1	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6570	0.000	1	107.6570	0.000	1	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.5020	0.000	1	108.1480	0.574	5	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7830	0.000	1	108.1480	0.574	5	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8183	0.052	3	108.1480	0.574	5	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1850	0.000	1	108.1850	0.000	1	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2{1|Cu<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9580	0.000	1	107.9210	0.003	2	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]H)(H)2{1|Ni<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8840	0.000	1	107.9210	0.003	2	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2979	0.809	14	107.8621	2.280	16	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:3:1:1:	4:	4:	S[6]-2:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	104.8110	2.097	2	107.8621	2.280	16	107.8024	14.920	43	107.8085	4.739	148	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	N[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7550	0.000	1	107.7550	0.000	1	107.7550	0.000	1	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]B[6,6a])(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0425	0.128	2	108.0425	0.016	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[3,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0750	0.000	1	108.0750	0.000	1	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[3x5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8450	0.007	2	107.8450	0.000	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,4x6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,4x6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3590	0.000	1	108.3590	0.000	1	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	101.5310	0.000	1	106.0820	41.423	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,5,6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.6330	0.000	1	106.0820	41.423	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9313	0.081	6	107.9313	0.007	6	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.2010	0.494	2	109.3578	0.483	5	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|C<4>,2|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.9580	0.280	2	109.3578	0.483	5	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5,6,6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.4710	0.000	1	109.3578	0.483	5	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.6700	0.000	1	111.6700	0.000	1	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8830	0.000	1	107.8830	0.000	1	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7895	0.008	2	107.7895	0.000	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[5a,6])(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3863	1.863	128	108.3863	3.471	128	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0210	0.117	3	108.0048	0.010	4	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9560	0.000	1	108.0048	0.010	4	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.4555	0.122	2	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8080	0.000	1	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7260	0.001	2	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.2212	1.756	4	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1000	0.123	2	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6592	0.529	5	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6163	0.075	3	107.8106	0.979	19	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6870	0.000	1	107.6870	0.000	1	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4220	0.000	1	107.7325	0.193	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0430	0.000	1	107.7325	0.193	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.6680	0.000	1	110.6680	0.000	1	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.1120	0.000	1	108.2622	1.515	9	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8970	0.000	1	108.2622	1.515	9	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0110	0.045	2	108.2622	1.515	9	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.5853	0.974	4	108.2622	1.515	9	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	105.9880	0.000	1	108.2622	1.515	9	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8940	0.000	1	107.9548	0.005	6	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9430	0.082	3	107.9548	0.005	6	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0300	0.000	1	107.9548	0.005	6	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9760	0.000	1	107.9548	0.005	6	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9180	0.000	1	107.7740	0.041	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6300	0.000	1	107.7740	0.041	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HS)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	112.2470	1.706	2	112.2470	2.909	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8620	0.000	1	107.8990	0.003	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9360	0.000	1	107.8990	0.003	2	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1780	0.000	1	108.2537	0.307	7	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2663	0.606	6	108.2537	0.307	7	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3524	0.535	10	108.3524	0.286	10	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.4307	2.076	59	108.4307	4.312	59	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	O[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]C[6,6a])(C[6]S[6]CH)(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8157	0.069	4	107.8157	0.005	4	108.3350	3.048	279	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5750	0.000	1	107.5750	0.000	1	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9980	0.000	1	107.8357	0.028	3	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6660	0.000	1	107.8357	0.028	3	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8430	0.000	1	107.8357	0.028	3	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6340	0.000	1	107.6340	0.000	1	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7905	0.087	2	107.7330	0.014	3	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6180	0.000	1	107.7330	0.014	3	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6885	0.213	2	107.7154	0.023	16	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5a,6])(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7192	0.152	14	107.7154	0.023	16	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]2H)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.3450	0.000	1	106.3450	0.000	1	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6385	0.091	6	107.6385	0.008	6	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2720	0.038	2	108.2720	0.001	2	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0050	0.000	1	108.0050	0.000	1	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7640	0.000	1	107.7640	0.000	1	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	2:4:1:1:	4:	4:	S[6]-2:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a])(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7010	0.192	4	107.7010	0.037	4	107.7091	0.086	39	108.2567	2.718	319	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[4x6]C[6,6])(O[6]O[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	108.0050	0.000	1	108.0050	0.000	1	107.6810	0.210	2	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[3x6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[5x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	107.3570	0.000	1	107.3570	0.000	1	107.6810	0.210	2	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1690	0.000	1	108.1690	0.000	1	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.4090	0.000	1	108.3553	0.005	3	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.3285	0.069	2	108.3553	0.005	3	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6,6])(H)2{2|C<3>,2|C<4>,2|N<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1370	0.000	1	108.1370	0.000	1	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5])(O[6]C[5,6])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8110	0.000	1	107.8110	0.000	1	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.4680	0.000	1	108.4680	0.000	1	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1238	0.119	4	108.1238	0.014	4	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6,6])(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.2980	0.000	1	108.2980	0.000	1	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]N[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1690	0.000	1	108.1690	0.000	1	108.2010	0.032	13	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5])(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	108.0180	0.000	1	108.0180	0.000	1	106.7910	8.939	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5])(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	102.3150	0.000	1	102.3150	0.000	1	106.7910	8.939	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]N[5,6]C[5])(S[6]C[6,6a])(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	108.4155	0.008	2	108.4155	0.000	2	106.7910	8.939	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[5,6])(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.3440	0.000	1	108.3440	0.000	1	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.1970	0.048	2	108.1920	0.004	4	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.2530	0.000	1	108.1920	0.004	4	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.1210	0.000	1	108.1920	0.004	4	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.2847	0.073	7	108.2847	0.005	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	107.9090	0.000	1	107.9790	0.010	2	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.0490	0.000	1	107.9790	0.010	2	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.4700	0.010	2	108.4700	0.000	2	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(O[6]C[5,6])(H)2{2|C<4>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.3500	0.000	1	108.3500	0.000	1	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[3x6])(H)2{2|C<3>,2|C<4>,2|N<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.4260	0.000	1	108.4260	0.000	1	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	107.9260	0.000	1	107.9260	0.000	1	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|N<2>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.1090	0.000	1	108.0535	0.006	2	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6])(H)2{2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	107.9980	0.000	1	108.0535	0.006	2	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	107.9960	0.000	1	107.9960	0.000	1	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.1400	0.000	1	108.5951	0.715	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	109.3350	0.000	1	108.5951	0.715	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.1420	0.000	1	108.5951	0.715	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.3310	0.000	1	108.5951	0.715	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{1|C<4>,2|N<2>,3|H<1>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	110.1800	0.000	1	108.5951	0.715	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.0190	0.287	2	108.5951	0.715	7	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	107.8810	0.354	2	107.8810	0.125	2	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]O[6]H)	H(C[6]C[5a,6]O[6]H)	108.0880	0.000	1	108.0880	0.000	1	108.2758	0.198	32	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(S[6]C[6,6a])(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.1130	0.016	2	108.1130	0.000	2	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.2740	0.000	1	108.2740	0.000	1	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.5320	0.000	1	108.5320	0.000	1	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.0025	0.080	2	108.0025	0.006	2	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(S[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.3480	0.000	1	108.3480	0.000	1	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6,6a])(H)2{1|N<3>,3|C<3>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.3567	0.048	3	108.3567	0.002	3	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[5a,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6])(H)2	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(S[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[5a,6]S[6]H)	H(C[6]C[5a,6]S[6]H)	108.2960	0.000	1	108.2960	0.000	1	108.2501	0.030	11	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.4340	0.000	1	107.4340	0.000	1	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9035	0.292	2	107.9035	0.085	2	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.5020	0.000	3	107.5020	0.000	3	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8390	0.000	1	107.8390	0.000	1	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0362	0.094	4	108.1851	0.441	14	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	110.4670	0.000	1	108.1851	0.441	14	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8900	0.000	1	108.1851	0.441	14	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8080	0.000	1	108.1851	0.441	14	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0401	0.082	7	108.1851	0.441	14	108.0084	0.371	21	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]2)(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.9050	0.000	1	107.9050	0.000	1	107.3870	1.879	6	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6])(S[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.1262	1.691	4	107.1262	2.859	4	107.3870	1.879	6	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]N[6])(S[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.9120	0.000	1	107.9120	0.000	1	107.3870	1.879	6	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	111.7070	0.000	1	108.6690	4.103	4	108.6690	4.103	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7100	0.000	1	108.6690	4.103	4	108.6690	4.103	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6295	0.006	2	108.6690	4.103	4	108.6690	4.103	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.5720	0.000	1	107.5720	0.000	1	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9767	0.188	4	107.9767	0.035	4	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.5520	0.030	2	108.5520	0.001	2	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.5490	0.067	4	107.9778	0.886	13	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|F<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8970	0.000	1	107.9778	0.886	13	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.1730	0.000	1	107.9778	0.886	13	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.7835	0.060	2	107.9778	0.886	13	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.5970	1.631	4	107.9778	0.886	13	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.4910	0.000	1	107.9778	0.886	13	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.6060	0.000	1	107.6060	0.000	1	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9120	0.000	1	107.6246	0.513	10	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.7220	0.000	1	107.6246	0.513	10	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.6663	0.108	4	107.6246	0.513	10	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8555	0.151	2	107.6246	0.513	10	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.5040	0.000	1	107.6246	0.513	10	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	105.7320	0.000	1	107.6246	0.513	10	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9152	0.226	5	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|F<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.2010	0.000	1	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.1589	0.083	7	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9827	0.213	14	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.6660	0.000	1	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.0297	0.073	6	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9948	0.154	13	108.0090	0.033	47	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.1500	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8607	0.192	4	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.0767	0.112	3	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9300	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9676	0.072	5	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.7830	0.014	2	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.0170	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.6240	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9135	0.152	4	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.6500	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.7920	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8324	0.089	5	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.1494	0.531	7	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.7130	0.095	2	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9600	0.041	2	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8630	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.0072	0.127	9	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.6120	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9785	0.139	4	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.5660	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.4740	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.0010	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.9925	0.223	4	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8306	0.217	9	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.7830	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	108.0190	0.000	1	107.9478	0.063	73	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8610	0.096	3	107.8610	0.009	3	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	109.3900	0.000	1	109.3900	0.000	1	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.8410	0.000	1	107.8410	0.000	1	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2{1|Br<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	H(C[6]C[6,6a]O[6]H)	107.4940	0.000	1	107.4940	0.000	1	107.9559	0.166	157	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.5720	0.301	2	107.5720	0.091	2	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.6820	0.455	3	107.6820	0.207	3	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.8125	0.269	2	107.0745	3.044	8	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.9520	0.143	2	107.0745	3.044	8	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	102.8070	0.000	1	107.0745	3.044	8	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.5100	0.000	1	107.0745	3.044	8	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.3750	0.057	2	107.0745	3.044	8	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.9085	0.323	2	107.9085	0.104	2	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.8540	0.000	1	107.8540	0.000	1	107.4036	1.586	16	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6,6a]-3:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	H(C[6]C[6,6a]Se[6]H)	H(C[6]C[6,6a]Se[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]Se[6]H)	H(C[6]C[6,6a]Se[6]H)	108.1040	0.000	1	108.1040	0.000	1	108.1040	0.000	1	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4240	0.000	1	107.4240	0.000	1	106.7293	6.633	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.9410	0.000	1	106.9410	0.000	1	106.7293	6.633	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.2760	4.354	2	106.2760	18.960	2	106.7293	6.633	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7920	0.000	1	107.6960	0.035	3	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6480	0.239	2	107.6960	0.035	3	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0250	0.000	1	108.0250	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]H)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6410	0.000	1	107.6410	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]O)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5720	0.011	2	107.5720	0.000	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4]C[6])(O[6]S[6])(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3470	0.000	1	108.3470	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1530	0.000	1	108.1530	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]H)(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7060	0.000	1	107.7060	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]O)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.8310	0.000	1	109.8310	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.3210	0.000	1	107.3210	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8160	0.000	1	107.8160	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8600	0.082	2	107.8600	0.007	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]N[5,6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9680	0.000	1	107.9680	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]O[6])(H)2{2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7710	0.000	1	107.7710	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C)(O[6]Si[6])(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8100	0.000	1	107.8100	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]O)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5960	0.000	1	107.5960	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8520	0.000	1	108.0260	0.061	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2000	0.000	1	108.0260	0.061	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,2|F<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1240	0.000	1	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2644	0.719	5	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6270	0.000	1	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0112	0.181	4	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0290	0.000	1	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7150	0.000	1	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9840	0.000	1	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9480	0.000	1	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8620	0.106	2	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|F<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2580	0.129	2	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5647	0.364	3	107.9876	0.180	22	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]N[6])(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7750	0.000	1	107.7750	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(O[6]O[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]C)(O[6]O[6])(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.2200	0.000	1	109.2200	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6300	0.000	1	107.8354	0.040	7	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7550	0.044	2	107.8354	0.040	7	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1185	0.032	2	107.8354	0.040	7	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7355	0.047	2	107.8354	0.040	7	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.9850	0.744	5	108.7973	0.531	9	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9230	0.049	2	108.7973	0.531	9	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]H)(O[6]N[6])(H)2{1|Pt<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.2025	0.002	2	108.7973	0.531	9	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2840	0.231	2	108.2840	0.053	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]O)(O[6]N[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9930	0.000	1	107.9930	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]S)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]S)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8480	0.000	1	107.8480	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]Se)(O[6]C[6,6])(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8835	0.098	2	107.8835	0.010	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6890	0.000	1	107.6890	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9330	0.000	1	107.9330	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7415	0.108	2	107.7167	0.008	3	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6670	0.000	1	107.7167	0.008	3	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6])(O[6]C[6,6a])(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	100.4610	0.000	1	100.4610	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]C)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6470	0.000	1	107.6470	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]O)(O[6]C[6,6a])(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	106.7720	0.000	1	106.7720	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]O)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6340	0.000	2	107.6340	0.000	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]C)(O[6]C[6,6a])(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1900	0.000	1	108.1900	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]H)(O[6]C[6])(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1220	0.000	1	108.1220	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8665	0.042	2	107.9858	0.012	5	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0830	0.000	1	107.9858	0.012	5	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]C)(O[6]C[6])(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0565	0.016	2	107.9858	0.012	5	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4945	0.185	2	107.6416	0.031	8	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5520	0.000	1	107.6416	0.031	8	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4780	0.000	1	107.6416	0.031	8	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6955	0.006	2	107.6416	0.031	8	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8615	0.059	2	107.6416	0.031	8	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]O)(O[6]N[6])(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0900	0.000	1	108.0900	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7950	0.000	1	107.7950	0.000	1	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1320	0.236	2	108.1320	0.056	2	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]O)(O[6]C[6])(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.9068	1.510	5	109.9068	2.281	5	108.0088	1.092	101	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(H)2{1|C<3>,1|N<2>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.9070	1.836	4	108.9070	3.371	4	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|N<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.4125	0.081	2	108.1275	0.061	6	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[6])(H)2{1|C<3>,1|N<2>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9850	0.133	4	108.1275	0.061	6	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7000	0.000	1	107.7000	0.000	1	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]O)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8420	0.332	2	107.8420	0.110	2	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]C)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.3960	0.000	1	107.4820	0.015	2	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]C)(S[6]C[6])(H)2{4|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5680	0.000	1	107.4820	0.015	2	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(S[6]P[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]C)(S[6]P[6])(H)2{1|C<3>,1|W<6>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6030	0.000	1	107.6030	0.000	1	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5630	0.000	1	107.5630	0.000	1	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(S[6]S[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|W<6>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	118.5310	0.000	1	118.5310	0.000	1	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[5a,6])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9654	0.615	25	107.9654	0.378	25	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6])(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.4757	0.757	3	108.4757	0.574	3	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]O)(S[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9550	0.000	1	107.9550	0.000	1	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	C[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]C)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]C)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.5570	0.000	1	108.5570	0.000	1	108.2815	2.836	48	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2	H(C[6]N[5,6]O[6]H)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]N[5,6]O[6]H)	H(C[6]N[5,6]O[6]H)	108.0595	0.029	4	108.0595	0.001	4	108.0012	0.007	15	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	H(C[6]N[5,6]O[6]H)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]N[5,6]O[6]H)	H(C[6]N[5,6]O[6]H)	108.0060	0.015	3	108.0060	0.000	3	108.0012	0.007	15	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	H(C[6]N[5,6]O[6]H)	H(C[6]N[5,6]O[6]H)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]N[5,6]O[6]H)	H(C[6]N[5,6]O[6]H)	107.9702	0.106	8	107.9702	0.011	8	108.0012	0.007	15	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[5,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2	H(C[6]N[5,6]S[6]H)	H(C[6]N[5,6]S[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2{1|N<2>,2|C<3>,2|N<3>}	H(C[6]N[5,6]S[6]H)	H(C[6]N[5,6]S[6]H)	108.0400	0.000	1	108.0400	0.000	1	108.0400	0.000	1	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.8010	0.000	1	107.8010	0.000	1	107.8010	0.000	1	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6,6a]C[6,6])(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	108.1420	0.000	1	108.1420	0.000	1	109.3894	4.175	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	108.0790	0.000	1	108.0790	0.000	1	109.3894	4.175	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	109.4100	0.000	1	109.4100	0.000	1	109.3894	4.175	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	108.3990	0.000	1	108.3990	0.000	1	109.3894	4.175	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	C[6](N[6,6]C[6,6]S[6])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]N[6,6]O[6]H)	H(C[6]N[6,6]O[6]H)	112.9170	0.000	1	112.9170	0.000	1	109.3894	4.175	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	H(C[6]N[6,6]S[6]H)	H(C[6]N[6,6]S[6]H)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]S[6]H)	H(C[6]N[6,6]S[6]H)	107.9283	0.135	3	109.5796	5.146	5	109.5796	5.146	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6,6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2	H(C[6]N[6,6]S[6]H)	H(C[6]N[6,6]S[6]H)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(H)2{1|N<3>,1|S<2>,6|H<1>}	H(C[6]N[6,6]S[6]H)	H(C[6]N[6,6]S[6]H)	112.0565	0.312	2	109.5796	5.146	5	109.5796	5.146	5	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6])(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	114.9520	7.464	2	114.9520	55.715	2	114.9520	55.715	2	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.6730	0.000	1	107.6730	0.000	1	107.6686	0.005	7	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N)(N[6]C[6])(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.6678	0.079	6	107.6678	0.006	6	107.6686	0.005	7	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[5a,6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.7640	0.044	7	107.7640	0.002	7	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6,6]H)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.5450	0.000	1	107.5450	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	108.6644	1.987	8	108.5361	3.143	10	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]C)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	108.0230	0.013	2	108.5361	3.143	10	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.6330	0.000	1	107.6330	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]O)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]O)(O[6]C[6])(H)2{1|C<3>,3|C<4>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.7810	0.000	1	107.7810	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]S)(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6]S)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	108.1270	0.000	1	108.1270	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6])(H)2{2|H<1>,4|C<3>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.7440	0.000	1	107.7440	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.6360	0.035	3	107.6360	0.001	3	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]C[6a]C[6])(O[6]C[6])(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	113.3280	0.000	1	113.3280	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	C[6](N[6]N[6,6a]C)(O[6]C[6,6a])(H)2{3|C<3>}	H(C[6]N[6]O[6]H)	H(C[6]N[6]O[6]H)	107.8730	0.000	1	107.8730	0.000	1	108.2462	2.277	27	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(S[6]C[6])(H)2	H(C[6]N[6]S[6]H)	H(C[6]N[6]S[6]H)	C[6](N[6]C[6]C)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]N[6]S[6]H)	H(C[6]N[6]S[6]H)	107.7380	0.000	1	107.7380	0.000	1	107.7740	0.003	2	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	N[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2	H(C[6]N[6]S[6]H)	H(C[6]N[6]S[6]H)	C[6](N[6]C[6a]C[6])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[6]N[6]S[6]H)	H(C[6]N[6]S[6]H)	107.8100	0.000	1	107.8100	0.000	1	107.7740	0.003	2	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	S[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]Rh)(S[6]C[6])(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6]Rh)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	109.4310	0.209	2	109.4310	0.044	2	108.2405	1.906	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	S[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2{1|S<2>,2|H<1>,2|S<3>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.0020	0.000	1	107.0500	0.005	2	108.2405	1.906	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:2:1:1:	4:	4:	S[6]-3:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6]Ru)(S[6]B[6])(H)2{2|S<3>,3|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.0980	0.000	1	107.0500	0.005	2	108.2405	1.906	4	108.0701	1.398	489	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	As[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](As[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]As[6,6]C[6]H)	H(C[6]As[6,6]C[6]H)	C[6](As[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	H(C[6]As[6,6]C[6]H)	H(C[6]As[6,6]C[6]H)	107.8910	0.635	2	107.8910	0.403	2	107.8910	0.403	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	B[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]N)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	105.2305	1.927	2	105.2305	3.713	2	105.2305	3.713	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[4,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[4,6]C[6,6]H)	H(C[6]C[4,6]C[6,6]H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[4,6]C[6,6]H)	H(C[6]C[4,6]C[6,6]H)	108.2630	0.008	2	108.2630	0.000	2	108.2630	0.000	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[4,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,4]C[4,6])(C[6]C[6]C)(H)2{2|C<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.4920	0.238	4	107.4920	0.056	4	107.4920	0.056	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.6850	0.000	1	108.6146	0.006	5	108.6146	0.006	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.6170	0.109	2	108.6146	0.006	5	108.6146	0.006	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.5220	0.000	1	108.6146	0.006	5	108.6146	0.006	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[4,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.6320	0.000	1	108.6146	0.006	5	108.6146	0.006	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5,6,6]C[6,6a]H)	H(C[6]C[5,6,6]C[6,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6,6]C[6,6a]H)	H(C[6]C[5,6,6]C[6,6a]H)	107.9110	0.023	2	107.9110	0.001	2	107.9110	0.001	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)2{1|I<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4810	0.000	1	109.4810	0.000	1	108.6109	1.595	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	108.6109	1.595	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8110	0.161	2	107.8110	0.026	2	108.6109	1.595	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<2>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.9830	0.000	1	109.6420	1.467	3	108.6109	1.595	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9715	0.487	2	109.6420	1.467	3	108.6109	1.595	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1230	0.000	1	107.1230	0.000	1	108.6109	1.595	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	107.9030	0.011	2	107.9030	0.000	2	107.9030	0.000	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.5310	0.000	1	108.5310	0.000	1	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5,5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0910	0.000	1	108.0910	0.000	1	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.7280	0.000	1	108.6733	0.008	3	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.5710	0.000	1	108.6733	0.008	3	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5])(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.7210	0.000	1	108.6733	0.008	3	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8300	0.047	2	107.8300	0.002	2	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1200	0.000	1	108.1200	0.000	1	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8500	0.000	1	107.8500	0.000	1	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3380	0.000	1	108.3380	0.000	1	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2915	0.196	2	108.2915	0.038	2	108.2661	0.112	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])2(H)2	H(C[6]C[5a,6]2H)	H(C[6]C[5a,6]2H)	C[6](C[5a,6]N[5a,6]C[5a])2(H)2{1|B<4>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]2H)	H(C[6]C[5a,6]2H)	107.7100	0.000	1	107.7100	0.000	1	107.7100	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.8320	0.000	1	108.8320	0.000	1	108.8320	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	107.6330	0.000	1	107.8750	0.117	2	108.6864	0.681	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	108.1170	0.000	1	107.8750	0.117	2	108.6864	0.681	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	109.4885	0.045	2	109.4885	0.002	2	108.6864	0.681	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a]H)	108.7050	0.000	1	108.7050	0.000	1	108.6864	0.681	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7795	0.050	2	107.7795	0.003	2	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8880	0.000	1	107.8375	0.005	2	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7870	0.000	1	107.8375	0.005	2	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1040	0.000	1	108.1610	0.006	2	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2180	0.000	1	108.1610	0.006	2	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8560	0.000	1	107.8560	0.000	1	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7460	0.014	2	107.7460	0.000	2	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0420	0.000	1	108.0420	0.000	1	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1230	0.000	1	108.1230	0.000	1	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2190	0.000	1	108.2190	0.000	1	107.9407	0.035	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,4|C<3>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	108.0242	0.075	4	108.0242	0.006	4	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	108.3218	0.065	4	108.7815	2.020	8	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	108.1090	0.000	1	108.7815	2.020	8	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	108.2815	0.040	2	108.7815	2.020	8	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	112.2930	0.000	1	108.7815	2.020	8	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	108.3870	0.000	1	108.3870	0.000	1	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]N[5,6]H)	H(C[6]C[5a,6]N[5,6]H)	108.1260	0.000	1	108.1260	0.000	1	108.4901	1.219	14	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,3|N<3>}	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	108.2343	0.041	3	108.2343	0.002	3	108.6081	0.334	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	108.4660	0.000	1	108.4660	0.000	1	108.6081	0.334	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[5a,6]C[6,6])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	109.4430	0.064	2	109.4430	0.004	2	108.6081	0.334	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6,6]H)	H(C[6]C[5a,6]N[6,6]H)	108.2020	0.000	1	108.2020	0.000	1	108.6081	0.334	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3260	0.000	1	107.8659	0.901	14	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	106.9720	0.000	1	107.8659	0.901	14	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.1642	0.093	10	107.8659	0.901	14	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3910	0.000	1	107.8659	0.901	14	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	104.7910	0.000	1	107.8659	0.901	14	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3840	0.000	1	108.4140	0.007	6	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3380	0.000	1	108.4140	0.007	6	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.5300	0.000	1	108.4140	0.007	6	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3815	0.097	2	108.4140	0.007	6	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.4690	0.000	1	108.4140	0.007	6	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	119.2950	0.000	1	119.2950	0.000	1	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.5110	0.000	1	108.5110	0.000	1	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.6440	0.000	1	108.7794	0.290	8	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	110.0980	0.000	1	108.7794	0.290	8	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.5822	0.085	6	108.7794	0.290	8	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.2802	0.124	12	108.2802	0.015	12	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	107.9950	0.000	1	107.9950	0.000	1	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3130	0.000	1	108.3130	0.000	1	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	107.9230	0.000	1	107.9230	0.000	1	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[5a,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.1790	0.000	1	108.1790	0.000	1	108.4874	3.068	46	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.0340	0.000	1	107.0340	0.000	1	107.1080	0.011	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[5,6]C[5,6]O[5])(H)2{1|C<2>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.1820	0.000	1	107.1820	0.000	1	107.1080	0.011	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])2(H)2{1|N<3>,2|O<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8550	0.000	1	107.8550	0.000	1	107.7237	0.025	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6500	0.000	1	107.6800	0.026	3	107.7237	0.025	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|Ga<5>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.5360	0.000	1	107.6800	0.026	3	107.7237	0.025	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[6,6]C[6])2(H)2{1|In<6>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8540	0.000	1	107.6800	0.026	3	107.7237	0.025	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8060	0.000	1	107.8060	0.000	1	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5595	0.266	4	107.4021	0.075	7	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)2{5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1923	0.058	3	107.4021	0.075	7	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.3640	0.000	1	103.3640	0.000	1	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6510	0.000	1	107.5498	0.005	4	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5010	0.000	1	107.5498	0.005	4	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5235	0.005	2	107.5498	0.005	4	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1695	0.233	2	105.3929	27.654	13	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	94.2135	0.000	1	105.3929	27.654	13	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9556	4.573	10	105.3929	27.654	13	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5560	0.000	1	106.5560	0.000	1	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]Ru)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7450	0.000	1	107.7450	0.000	1	106.3426	13.731	28	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9100	0.000	1	107.9100	0.000	1	108.0317	0.011	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.0925	0.028	2	108.0925	0.001	2	108.0317	0.011	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8500	0.000	1	107.8500	0.000	1	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6])(N[6]C[6]S)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.4580	0.000	1	108.4580	0.000	1	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.5310	1.000	2	109.5302	0.385	4	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2)(N[6]C[6a]O[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.5295	0.392	2	109.5302	0.385	4	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9020	0.000	1	107.9020	0.000	1	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5810	0.000	1	107.7455	0.054	2	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9100	0.000	1	107.7455	0.054	2	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0713	0.052	4	108.1054	0.004	7	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1320	0.003	2	108.1054	0.004	7	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1890	0.000	1	108.1054	0.004	7	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8910	0.000	1	108.1190	0.104	2	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3470	0.000	1	108.1190	0.104	2	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]O[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	111.9110	0.000	1	111.9110	0.000	1	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]O[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	111.2310	0.000	1	111.2310	0.000	1	108.6970	1.431	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6])(S[6]O[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	107.8160	0.038	7	107.8160	0.001	7	107.8160	0.001	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.3660	0.000	1	108.3660	0.000	1	108.1213	0.084	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.8000	0.000	1	107.9990	0.079	2	108.1213	0.084	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1980	0.000	1	107.9990	0.079	2	108.1213	0.084	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5840	0.000	1	107.5840	0.000	1	107.4399	1.135	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.9900	0.000	1	106.9870	3.294	3	107.4399	1.135	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	104.8920	0.000	1	106.9870	3.294	3	107.4399	1.135	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0790	0.000	1	106.9870	3.294	3	107.4399	1.135	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5720	0.030	3	107.5720	0.001	3	107.4399	1.135	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.2580	0.000	1	108.2580	0.000	1	107.4399	1.135	8	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.2110	0.000	1	108.2110	0.000	1	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2{1|B<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.0594	0.087	8	107.0594	0.008	8	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	106.5975	0.200	2	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	104.7110	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.8570	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.7251	0.294	10	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.8543	1.125	3	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	106.8546	1.890	5	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.0120	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.3350	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.1168	0.247	5	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.1485	0.112	2	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.3913	0.899	3	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	106.8660	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	109.4530	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|C<3>,2|O<1>,3|O<2>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	108.2340	0.000	1	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.1785	0.037	2	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.2867	0.458	4	107.6583	1.125	43	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]2H)	H(C[6]C[6,6a]2H)	107.7135	0.062	2	107.7135	0.004	2	107.5819	0.947	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.1005	2.295	2	108.2467	4.820	3	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.5390	0.000	1	108.2467	4.820	3	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.0090	0.000	1	106.0090	0.000	1	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0040	0.000	1	107.8013	0.036	3	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6250	0.000	1	107.8013	0.036	3	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7750	0.000	1	107.8013	0.036	3	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2620	0.000	1	107.2620	0.000	1	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6805	2.156	6	107.7085	3.333	8	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9750	0.000	1	107.7085	3.333	8	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6100	0.000	1	107.7085	3.333	8	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	101.8661	4.740	3	103.7061	21.233	11	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	103.6903	7.204	2	103.7061	21.233	11	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	104.0172	4.714	5	103.7061	21.233	11	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7020	0.000	1	103.7061	21.233	11	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4650	0.000	1	107.6815	0.094	2	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8980	0.000	1	107.6815	0.094	2	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	68.0063	22.721	2	68.0063	516.249	2	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9810	0.000	1	107.9810	0.000	1	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7440	0.000	1	107.7440	0.000	1	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7938	0.122	5	107.4491	0.080	17	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7160	0.000	1	107.4491	0.080	17	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3320	0.214	4	107.4491	0.080	17	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2318	0.084	4	107.4491	0.080	17	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1740	0.000	1	107.4491	0.080	17	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2605	0.019	2	107.4491	0.080	17	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8887	0.172	7	107.9140	0.030	8	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0910	0.000	1	107.9140	0.030	8	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	102.1130	0.000	1	104.9700	16.325	2	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8270	0.000	1	104.9700	16.325	2	105.5140	65.082	60	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[4,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2	H(C[6]C[6,6a]N[4,6]H)	H(C[6]C[6,6a]N[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[4,6]H)	H(C[6]C[6,6a]N[4,6]H)	108.5730	0.000	1	108.5730	0.000	1	108.5730	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.5380	0.000	1	107.5380	0.000	1	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	103.3770	0.000	1	105.7685	11.439	2	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.1600	0.000	1	105.7685	11.439	2	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.0245	0.057	2	107.9773	0.008	3	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8830	0.000	1	107.9773	0.008	3	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8740	0.199	2	107.9232	0.062	6	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8000	0.000	1	107.9232	0.062	6	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.3880	0.000	1	107.9232	0.062	6	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8015	0.059	2	107.9232	0.062	6	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.6170	0.000	1	108.3197	1.532	3	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.6710	1.525	2	108.3197	1.532	3	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.5770	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.7930	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.7800	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.5830	0.105	2	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.9920	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.3000	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.1930	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	109.7690	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.9257	0.119	6	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.7630	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	109.8720	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.0480	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.0870	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.2970	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	109.1710	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.6740	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.0090	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8350	0.000	1	108.1200	0.383	24	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.2500	0.000	1	108.2500	0.000	1	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.2940	0.000	1	108.0732	0.019	5	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.9715	0.080	2	108.0732	0.019	5	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.0645	0.015	2	108.0732	0.019	5	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.9535	0.015	2	107.9535	0.000	2	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	92.5466	0.000	1	92.5466	0.000	1	107.6553	5.697	48	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	108.0610	0.060	3	107.9814	0.021	5	107.9814	0.021	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|S<2>,2|N<2>,3|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	107.9790	0.000	1	107.9814	0.021	5	107.9814	0.021	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	107.7450	0.000	1	107.9814	0.021	5	107.9814	0.021	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	108.1125	0.012	2	108.1125	0.000	2	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.9350	0.000	1	107.9350	0.000	1	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8120	0.000	1	107.8120	0.000	1	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8250	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.5970	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.4925	0.134	2	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8950	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.6630	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8020	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	106.4250	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	117.9240	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.7550	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.6240	1.148	2	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.6670	0.000	1	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.9503	0.066	3	108.2898	6.820	16	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.9950	0.000	1	108.0208	3.550	116	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.9080	0.096	2	108.0208	3.550	116	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	108.3995	4.719	2	108.0208	3.550	116	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	108.0176	1.898	108	108.0208	3.550	116	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	108.0145	0.170	2	108.0208	3.550	116	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8810	0.000	1	108.0208	3.550	116	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.6350	0.059	2	107.6350	0.004	2	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.5390	0.013	2	107.5390	0.000	2	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	108.1370	0.000	1	108.1370	0.000	1	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	109.4220	0.083	3	109.4220	0.007	3	108.0679	3.623	144	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9470	0.000	1	108.1720	0.101	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.3970	0.000	1	108.1720	0.101	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.5130	0.000	1	107.5130	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8910	0.000	1	107.8910	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7330	0.000	1	107.7330	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7830	0.000	1	107.7830	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0530	0.000	1	107.9487	0.010	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9430	0.000	1	107.9487	0.010	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8500	0.000	1	107.9487	0.010	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6580	0.000	1	107.8360	0.048	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6540	0.000	1	107.8360	0.048	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0160	0.122	2	107.8360	0.048	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.2810	0.173	4	108.2810	0.030	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0790	0.000	1	107.7756	0.030	5	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6997	0.045	4	107.7756	0.030	5	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9740	0.000	1	107.9740	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0840	0.000	1	107.9843	0.008	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9050	0.000	1	107.9843	0.008	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9640	0.000	1	107.9843	0.008	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8330	0.000	1	107.8330	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8430	0.000	1	107.8430	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9080	0.000	1	107.9080	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0620	0.041	2	108.0620	0.002	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.2181	0.628	8	108.1807	0.358	9	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8810	0.000	1	108.1807	0.358	9	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.3730	0.000	1	108.3966	0.746	7	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.4005	0.946	6	108.3966	0.746	7	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1800	0.000	1	107.9583	0.046	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9450	0.000	1	107.9583	0.046	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7500	0.000	1	107.9583	0.046	3	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0440	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9840	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9140	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6970	0.538	11	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0134	0.294	9	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7150	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.7833	2.724	3	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7750	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.6730	0.694	3	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9630	0.000	2	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1330	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7029	0.379	14	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8660	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8073	0.174	3	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.5640	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8390	0.000	1	107.9107	0.507	54	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.5150	0.089	6	107.7778	0.098	12	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.2380	0.016	2	107.7778	0.098	12	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0520	0.000	1	107.7778	0.098	12	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6790	0.000	1	107.7778	0.098	12	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0185	0.019	2	107.7778	0.098	12	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7355	0.129	2	107.7355	0.017	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7060	0.000	1	107.7060	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6390	0.000	1	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1331	0.129	12	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.4802	1.441	6	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9170	0.000	1	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9417	0.074	3	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9350	0.000	1	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.2420	0.000	1	107.9214	0.520	25	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9460	0.000	1	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1410	0.052	2	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	106.6950	1.932	2	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8320	0.214	2	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.2736	0.124	9	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9955	0.083	4	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0160	0.000	1	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9730	0.069	2	107.9864	0.368	23	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.0090	0.000	1	107.0090	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0390	0.000	1	107.9843	0.026	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8090	0.000	1	107.9843	0.026	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1820	0.000	1	107.9843	0.026	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9070	0.000	1	107.9843	0.026	4	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8560	0.156	3	107.7635	0.042	6	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,3|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6710	0.233	3	107.7635	0.042	6	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.5478	1.308	12	107.5478	1.712	12	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2{1|H<1>,1|O<2>,3|C<3>,3|N<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.8605	1.671	2	108.8605	2.792	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1610	0.000	1	108.2530	0.017	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.3450	0.000	1	108.2530	0.017	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.3830	0.000	1	108.3830	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8384	0.173	7	107.8384	0.030	7	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.5935	0.141	2	107.5935	0.020	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8940	0.074	2	107.8940	0.005	2	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6350	0.000	1	107.6350	0.000	1	107.9226	0.425	207	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	H(C[6]C[6,6a]O[4,6]H)	H(C[6]C[6,6a]O[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]O[4,6]H)	H(C[6]C[6,6a]O[4,6]H)	108.1280	0.139	2	108.1280	0.019	2	108.1280	0.019	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	107.8350	0.000	1	107.8350	0.000	1	107.9265	0.017	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	108.0180	0.000	1	108.0180	0.000	1	107.9265	0.017	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4030	0.000	1	107.4030	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6000	0.000	1	107.6000	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0040	0.031	2	108.0040	0.001	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)2(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8840	0.000	1	107.8840	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9680	0.000	1	107.9680	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9240	0.000	1	106.9240	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9720	0.000	1	107.9720	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6930	0.000	2	108.6930	0.000	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.2760	0.000	1	104.2760	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9850	0.000	1	107.3760	0.306	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7670	0.000	1	107.3760	0.306	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|S<2>,2|C<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6770	0.000	1	107.0917	0.257	3	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7990	0.000	2	107.0917	0.257	3	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9940	0.000	1	107.9940	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1210	0.000	1	108.1210	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.000	1	107.6934	0.065	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6910	0.000	1	107.6934	0.065	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6020	0.000	1	107.6934	0.065	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7115	0.496	2	107.6934	0.065	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7650	0.000	1	108.6440	1.545	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5230	0.000	1	108.6440	1.545	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6160	0.000	1	106.6160	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9140	4.660	2	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1860	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7210	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0320	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8600	0.109	2	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	72.3363	62.666	3	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9980	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2791	4.423	6	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.5987	1.425	3	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2313	0.093	3	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9970	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4590	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5250	0.000	1	102.9092	447.480	26	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4220	0.000	1	107.4220	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6260	0.000	1	108.0905	0.432	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5550	0.000	1	108.0905	0.432	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6370	0.000	1	107.6370	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8680	0.677	3	106.8680	0.459	3	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1410	0.000	1	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1030	0.000	1	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,1|F<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9700	0.000	1	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4525	0.129	4	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0440	0.000	1	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4560	0.000	1	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9510	0.076	4	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]C)2(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2250	0.000	1	107.6109	0.264	14	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	100.8230	0.000	1	100.8230	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]Cl)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]Cl)2(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3860	0.058	2	108.3860	0.003	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.2640	0.000	1	112.2640	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2210	0.000	1	107.2210	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9508	0.252	5	106.9508	0.063	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7970	0.000	1	106.7970	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8520	0.000	1	107.8520	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2420	0.000	1	107.2420	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|B<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9830	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0550	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2913	0.453	3	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7790	0.461	2	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0010	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8560	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4817	0.314	3	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|N<3>,1|N<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8580	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1928	0.682	5	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3930	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|Ga<4>,2|Si<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4450	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5445	0.463	2	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5232	2.911	6	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|In<4>,2|Si<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3780	0.000	1	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4437	1.544	7	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]H)2(H)2{1|Si<4>,1|B<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2025	0.211	2	107.3746	1.905	39	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2727	0.034	3	107.2727	0.001	3	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4820	0.000	1	107.6045	0.030	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7270	0.000	1	107.6045	0.030	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	107.8270	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)2{1|Pt<4>,1|C<3>,1|H<1>,1|P<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2060	0.000	1	107.2060	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)2{1|Br<1>,1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5220	0.020	2	109.5220	0.000	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	107.9170	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2560	0.000	1	107.2560	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9315	0.074	2	106.9315	0.006	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9160	0.000	1	108.3572	0.110	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0920	0.000	1	108.3572	0.110	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5927	0.064	3	108.3572	0.110	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Ge[6]P)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6940	0.000	1	107.6940	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5540	0.000	1	109.5540	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]C)2(H)2{1|Ge<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0230	0.098	2	106.0230	0.010	2	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0990	0.038	3	107.5426	9.065	35	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]O)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5842	3.150	32	107.5426	9.065	35	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]C)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]C)2(H)2{1|Ga<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2100	0.000	1	106.2100	0.000	1	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]O)2(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5992	0.360	4	107.5718	0.101	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]O)2(H)2{1|Nb<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4620	0.000	1	107.5718	0.101	5	106.8755	65.067	188	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]O)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6470	0.000	1	107.6470	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8990	0.000	1	107.8990	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]Si)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5700	0.120	3	107.5700	0.015	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1750	0.042	2	108.1750	0.002	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7280	0.000	1	107.8643	0.028	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9325	0.168	2	107.8643	0.028	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9120	0.000	1	108.0133	0.177	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6520	0.000	1	108.0133	0.177	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4760	0.000	1	108.0133	0.177	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8640	0.000	1	107.8445	0.001	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(N[6]C[6]S)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8250	0.000	1	107.8445	0.001	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.0680	1.273	2	107.0680	1.620	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8800	0.058	2	107.8800	0.003	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0850	0.000	1	108.0850	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8610	0.000	1	109.3075	4.185	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.7540	0.000	1	109.3075	4.185	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8030	0.000	1	107.9113	0.084	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9655	0.387	2	107.9113	0.084	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6,6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4530	0.000	1	107.4530	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8430	0.000	1	107.8430	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1668	0.117	4	108.1540	0.011	5	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1030	0.000	1	108.1540	0.011	5	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]H)(N[6]O[6]H)(H)2{2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.7340	0.000	1	106.7340	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2720	0.000	1	108.2720	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9030	0.000	2	107.9267	0.002	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9740	0.000	1	107.9267	0.002	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8360	0.000	1	108.0790	0.118	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3220	0.000	1	108.0790	0.118	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7773	0.310	4	107.7773	0.096	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4790	0.000	1	107.6500	0.058	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8210	0.000	1	107.6500	0.058	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6950	0.154	2	107.6950	0.024	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(N[6]S[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]N)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6028	0.102	10	107.6028	0.010	10	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5810	0.000	1	107.5810	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6670	0.000	1	107.6670	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4300	0.000	1	107.4300	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]B)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8080	0.000	1	107.8080	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1813	0.344	59	108.0614	0.111	90	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8409	0.141	29	108.0614	0.111	90	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7440	0.000	1	108.0614	0.111	90	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7020	0.000	1	108.0614	0.111	90	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5987	0.113	3	107.6688	0.028	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8790	0.000	1	107.6688	0.028	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7899	0.522	11	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1575	0.156	2	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6530	0.000	1	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1050	1.018	5	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0700	0.186	6	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1825	0.012	2	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3355	0.258	2	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9930	0.000	1	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.8080	2.888	4	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5195	2.764	2	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7420	0.000	1	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0195	0.312	2	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5770	0.000	1	108.2065	1.373	40	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7310	0.272	2	108.7310	0.074	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]N[6]S)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3190	0.109	2	108.3190	0.012	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]O[6]C)(H)2{2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1950	0.000	1	108.1950	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{1|Mo<6>,2|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5167	0.198	3	107.4483	0.045	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]P[6]2)(H)2{2|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2430	0.000	1	107.4483	0.045	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7100	0.000	1	107.7100	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]C)(N[6]S[6]H)(H)2{1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6700	0.000	1	107.6700	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]B[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.2690	0.000	1	105.2690	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8100	0.000	1	108.0042	2.372	11	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6870	0.000	1	108.0042	2.372	11	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1025	0.168	2	108.0042	2.372	11	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1808	2.081	6	108.0042	2.372	11	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2590	0.000	1	108.0042	2.372	11	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1240	0.000	1	108.1240	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1850	0.098	2	108.1850	0.010	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0810	0.010	2	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1360	0.000	1	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9805	0.028	2	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0510	0.000	1	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0750	0.000	1	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6300	0.000	1	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6125	1.388	4	107.5387	1.009	12	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0760	0.000	1	108.0760	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0130	0.000	1	107.9495	0.008	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8860	0.000	1	107.9495	0.008	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2630	0.000	1	108.2630	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5790	0.000	1	109.5790	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	103.4580	0.000	1	103.4580	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4965	0.043	2	108.4965	0.002	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]S)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2420	0.000	1	108.2420	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[5,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2810	0.269	2	108.2810	0.072	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0970	0.000	1	108.0970	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8490	0.000	1	107.8490	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4330	0.000	1	108.4330	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6])(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0900	0.000	1	108.0900	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6165	1.177	2	109.3708	4.599	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.1250	3.183	2	109.3708	4.599	4	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.7280	0.000	1	109.7280	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0090	0.000	1	108.0090	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	99.1750	20.026	6	103.7648	186.673	13	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6177	0.041	3	103.7648	186.673	13	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]O)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7597	0.218	4	103.7648	186.673	13	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]C)(N[6]C[6]N)(H)2{1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8605	0.070	2	107.8605	0.005	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.4500	0.000	1	111.4500	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3500	0.000	1	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4500	0.000	1	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4840	0.000	1	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.7475	4.096	2	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5110	0.000	1	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1320	0.000	1	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1544	1.906	17	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1480	0.058	2	107.9363	3.567	26	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2662	2.539	23	107.2712	5.940	25	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9350	0.000	1	107.2712	5.940	25	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.7220	0.000	1	107.2712	5.940	25	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4720	0.000	1	107.4090	0.006	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3240	0.000	1	107.4090	0.006	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]N)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4310	0.000	1	107.4090	0.006	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]O)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5550	0.000	1	107.5550	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]H)(N[6]C[6]C)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2500	0.049	2	108.2500	0.002	2	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1430	0.000	1	107.7327	0.264	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]C)(H)2{3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0275	0.078	2	107.7327	0.264	3	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7000	0.000	1	107.7000	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]O)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3820	0.000	1	107.3820	0.000	1	107.7751	8.751	332	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:P[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]C[6]C)(P[6]N[6]2)(H)2{2|P<3>,3|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	106.9375	0.134	2	106.9375	0.018	2	106.9375	0.018	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6280	0.000	1	107.5490	0.012	2	109.5730	13.642	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.4700	0.000	1	107.5490	0.012	2	109.5730	13.642	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]H)(S[6]S[6]W)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]H)(S[6]S[6]W)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	115.0990	0.000	1	115.0990	0.000	1	109.5730	13.642	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	C[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]O)(S[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0950	0.000	1	108.0950	0.000	1	109.5730	13.642	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[4,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	108.1600	0.000	1	108.1600	0.000	1	108.1600	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	108.2420	0.000	1	108.2420	0.000	1	108.2420	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	108.1820	0.000	1	108.1820	0.000	1	108.1820	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3x5,6]C[5])(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2365	0.042	2	108.2365	0.002	2	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	104.5770	0.000	1	104.5770	0.000	1	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	109.4595	0.045	2	109.4595	0.002	2	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.4329	0.348	15	107.4329	0.121	15	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3280	0.000	1	108.6747	2.934	11	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.3143	0.113	3	108.6747	2.934	11	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	109.3073	1.864	7	108.6747	2.934	11	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1736	0.228	5	108.1736	0.052	5	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3790	0.000	1	108.3790	0.000	1	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1420	0.000	1	108.1420	0.000	1	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	110.0800	0.000	1	110.0800	0.000	1	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	104.9130	0.000	1	104.9130	0.000	1	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2630	0.000	1	108.2630	0.000	1	107.9885	1.785	41	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	H(C[6]N[5,6]2H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]N[5,6]2H)	H(C[6]N[5,6]2H)	108.0305	0.053	4	108.2097	0.049	12	108.2097	0.049	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	H(C[6]N[5,6]2H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]N[5,6]2H)	H(C[6]N[5,6]2H)	107.9535	0.057	2	108.2097	0.049	12	108.2097	0.049	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])2(H)2	H(C[6]N[5,6]2H)	H(C[6]N[5,6]2H)	C[6](N[5,6]C[5,6]C[5])2(H)2{1|P<2>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]N[5,6]2H)	H(C[6]N[5,6]2H)	108.4145	0.061	6	108.2097	0.049	12	108.2097	0.049	12	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	107.7365	0.067	2	107.7365	0.005	2	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	107.8240	0.000	1	107.8167	0.035	46	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	107.8253	0.211	33	107.8167	0.035	46	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	107.8656	0.073	7	107.8167	0.035	46	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	107.6898	0.069	5	107.8167	0.035	46	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	108.1077	0.096	4	108.1077	0.009	4	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]N[5,6]N[6]H)	H(C[6]N[5,6]N[6]H)	108.1925	0.330	2	108.1925	0.109	2	107.8492	0.043	54	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	107.8010	0.000	1	108.0550	0.049	3	108.0550	0.049	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	H(C[6]C[6,6a]N[5a,6]H)	108.1820	0.034	2	108.0550	0.049	3	108.0550	0.049	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3130	0.000	1	108.3130	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.6000	0.000	1	107.6000	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.8715	0.122	2	107.8715	0.015	2	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(H)2{1|N<3>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3520	0.000	1	108.3520	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,2|N<2>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1790	0.000	1	108.1790	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]Br)(H)2{1|C<4>,1|I<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1870	0.000	1	108.1870	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0170	0.007	2	107.9807	0.004	3	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.9080	0.000	1	107.9807	0.004	3	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]I)(H)2{1|C<4>,1|I<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0700	0.000	1	108.0700	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0360	0.000	1	108.0360	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2300	0.247	2	108.2300	0.061	2	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0730	0.000	1	108.0730	0.000	1	108.0637	0.045	15	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[5a,6]-3:N[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])2(H)2	H(C[6]N[5a,6]2H)	H(C[6]N[5a,6]2H)	C[6](N[5a,6]C[5a,6]C[5a])2(H)2{2|H<1>,5|C<3>}	H(C[6]N[5a,6]2H)	H(C[6]N[5a,6]2H)	108.2355	0.045	2	108.2355	0.002	2	108.2355	0.002	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	109.4713	0.055	6	109.4713	0.003	6	109.4713	0.003	6	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7000	0.000	1	107.7000	0.000	1	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8110	0.082	2	107.8110	0.007	2	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8960	0.021	2	107.7950	0.031	3	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5930	0.000	1	107.7950	0.031	3	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8050	0.000	1	108.6225	3.154	4	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9650	0.000	1	108.6225	3.154	4	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.4530	0.000	1	108.6225	3.154	4	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	111.2670	0.000	1	108.6225	3.154	4	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5660	0.000	1	107.4896	0.593	5	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.3367	1.036	3	107.4896	0.593	5	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8720	0.000	1	107.4896	0.593	5	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5270	0.000	1	107.5955	0.006	4	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6183	0.081	3	107.5955	0.006	4	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.8323	0.805	20	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])2(H)2	H(C[6]N[6,6]2H)	H(C[6]N[6,6]2H)	C[6](N[6,6]C[6,6]C[6])2(H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[6,6]2H)	H(C[6]N[6,6]2H)	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]2)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.2336	0.890	5	107.2336	0.792	5	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|N<3>,2|O<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	108.2640	0.000	1	107.3721	0.518	17	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	104.7110	0.000	1	107.3721	0.518	17	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|P<4>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.5490	0.149	6	107.3721	0.518	17	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.4508	0.083	9	107.3721	0.518	17	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	108.1250	0.099	2	108.1250	0.010	2	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	109.0150	0.000	1	109.0150	0.000	1	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(H)2{2|C<3>,2|N<3>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.4570	0.050	4	107.4570	0.002	4	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]O[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.8100	0.000	1	107.8100	0.000	1	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	105.5130	0.000	1	105.5130	0.000	1	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]S[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	113.5560	0.000	1	113.5560	0.000	1	107.6083	1.791	32	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6,6a]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|P<4>,2|C<4>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.5895	0.233	2	107.5895	0.054	2	107.4042	0.114	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|P<4>,1|S<5>,2|N<3>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.2190	0.387	2	107.2190	0.150	2	107.4042	0.114	4	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.9050	0.000	1	110.9050	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6990	0.000	1	107.6990	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]O)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1250	0.000	1	107.1250	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8150	0.000	1	107.8150	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6,6]O)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9140	0.000	1	107.9140	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2970	0.000	1	108.2970	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6475	0.022	2	107.6475	0.000	2	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]Br)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3610	0.000	1	108.3610	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0890	0.000	1	108.0890	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|Cl<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2390	0.000	1	108.1663	0.007	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1300	0.082	2	108.1663	0.007	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7660	0.072	2	107.7660	0.005	2	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]C)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1120	0.000	1	108.1120	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6145	0.026	2	107.6145	0.001	2	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0260	0.000	1	108.0260	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8050	0.000	1	107.7038	0.004	5	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7310	0.000	1	107.7038	0.004	5	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6610	0.012	3	107.7038	0.004	5	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8860	0.168	6	107.8860	0.028	6	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9538	0.073	5	107.9538	0.005	5	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	103.9250	4.947	2	103.9250	24.472	2	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Si)(C[6]N[6]O)(H)2{1|Si<4>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5893	0.371	3	107.5893	0.137	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<1>,1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	103.0450	0.000	1	108.1051	5.370	18	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4990	0.000	1	108.1051	5.370	18	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	115.9950	0.000	1	108.1051	5.370	18	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8145	0.142	13	108.1051	5.370	18	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0470	0.000	1	108.1051	5.370	18	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)2{2|C<3>,2|H<1>,2|S<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7160	0.000	1	108.1051	5.370	18	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1340	0.000	1	107.6360	0.266	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1050	0.000	1	107.6360	0.266	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6690	0.000	1	107.6360	0.266	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4150	0.000	1	107.4278	0.003	5	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6,6]O)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4310	0.063	4	107.4278	0.003	5	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.0130	0.185	3	107.0130	0.034	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3020	0.000	1	107.6233	0.469	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2840	0.496	2	107.6233	0.469	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4710	0.000	1	107.4710	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4926	0.784	5	107.5968	0.557	6	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1180	0.000	1	107.5968	0.557	6	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]N[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5260	0.000	1	109.5260	0.000	1	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[5,6]Si)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7057	0.051	3	107.7057	0.003	3	107.7670	2.074	83	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]B[6]C)(N[6]C[6]C)(H)2{1|H<1>,2|N<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0850	0.000	1	108.0850	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3]C[6])2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[3]C[6])2(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0115	0.224	2	108.0115	0.050	2	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0570	0.134	2	108.0063	0.017	3	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6]C)(N[6]C[6]C)(H)2{1|Ga<4>,1|N<4>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9050	0.000	1	108.0063	0.017	3	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.5370	0.000	1	107.5370	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9440	0.000	1	107.9440	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.8200	0.168	2	107.8200	0.028	2	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]C)2(H)2{3|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	109.3140	0.410	4	109.3140	0.168	4	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9131	0.082	12	107.9131	0.007	12	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]S)(N[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0210	0.000	1	108.0210	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0832	0.035	4	108.0119	0.008	8	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9405	0.060	4	108.0119	0.008	8	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1395	0.091	2	108.1395	0.008	2	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0487	0.021	3	108.0487	0.000	3	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Al<4>,1|N<4>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9920	0.001	2	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1960	0.645	2	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|C<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.5266	0.893	5	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9000	0.154	8	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.8350	0.117	11	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.7940	0.349	2	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0180	0.116	2	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.6746	1.303	14	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|N<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1030	0.076	2	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|P<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0185	0.100	2	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|P<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.2210	0.000	1	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Rh<6>,1|N<3>,1|O<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.4300	0.000	1	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0216	0.690	7	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]C)2(H)2{1|Si<4>,1|N<4>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1440	0.000	1	108.1775	0.605	60	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1405	0.087	2	108.2032	0.010	5	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.2450	0.100	3	108.2032	0.010	5	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]H)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]H)2(H)2{1|N<3>,2|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.4560	0.000	1	108.4560	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.3360	0.094	3	110.0217	2.778	47	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|C<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9520	0.000	1	110.0217	2.778	47	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]N)2(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	110.1874	1.646	43	110.0217	2.778	47	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]O)(N[6]N[6]C)(H)2{3|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9490	0.000	1	107.9490	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]S)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]S)2(H)2{1|C<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	109.2715	1.258	2	108.7500	0.500	6	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]S)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]S)2(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.4892	0.185	4	108.7500	0.500	6	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1690	0.000	1	108.1690	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.8792	0.157	4	107.8586	0.026	12	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9043	0.073	7	107.8586	0.026	12	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.4560	0.000	1	107.8586	0.026	12	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]H)(H)2{1|N<3>,1|S<1>,2|C<3>,2|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.2558	0.114	4	108.2558	0.013	4	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])(N[6]C[6]P)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9010	0.000	1	107.9010	0.000	1	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9625	0.128	2	108.7833	3.623	18	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.9537	2.052	15	108.7833	3.623	18	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(H)2{3|H<1>,5|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.8700	0.000	1	108.7833	3.623	18	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]N[6])2(H)2{1|Pd<4>,5|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.4700	0.000	1	108.6773	0.032	3	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.7810	0.000	2	108.6773	0.032	3	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]N[6]C)(N[6]N[6]H)(H)2{1|H<1>,2|C<4>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9400	0.062	2	107.9400	0.004	2	108.6517	1.807	201	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	N[6]-3:P[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	C[6](N[6]C[6]C)(P[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	107.6465	0.040	2	107.6465	0.002	2	107.6465	0.002	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[3,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2	H(C[6]P[3,6]C[6]H)	H(C[6]P[3,6]C[6]H)	C[6](P[3,6]P[3,6]P[3])(C[6]C[6]C)(H)2{1|P<2>,2|C<4>}	H(C[6]P[3,6]C[6]H)	H(C[6]P[3,6]C[6]H)	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]C[5])(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	107.8100	0.000	1	107.8100	0.000	1	108.8497	1.055	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]P[5,6]C[5])(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]P[5,6]C[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	108.8750	0.000	1	108.8750	0.000	1	108.8497	1.055	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]P[5,6]N[5])(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]P[5,6]N[5])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	109.8640	0.000	1	109.8640	0.000	1	108.8497	1.055	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[6,6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6])(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.8950	0.744	2	107.8950	0.553	2	107.8950	0.553	2	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[5]P[6])(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5]P[6])(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|N<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.8780	0.000	1	108.8780	0.000	1	108.0527	0.547	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]P[6])(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]P[6])(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.4490	0.000	1	107.4490	0.000	1	108.0527	0.547	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]N[6]Cl)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.8310	0.000	1	107.8310	0.000	1	108.0527	0.547	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	P[6]-3:P[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]P[6]C)2(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]P[6]C)2(H)2{3|C<4>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	106.5640	0.000	1	106.5640	0.000	1	106.5640	0.000	1	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a]O)(C[6]N[6]O)(H)2{3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.9820	0.000	1	109.9820	0.000	1	108.2374	0.754	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]Pt)(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]Pt)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.1820	0.000	1	107.1820	0.000	1	108.2374	0.754	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]S[6]Ru)(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]S[6]Ru)(C[6]C[6]C)(H)2{1|Ru<6>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0780	0.322	3	108.0780	0.103	3	108.2374	0.754	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]S[6]Ru)(C[6]C[6]H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]S[6]Ru)(C[6]C[6]H)(H)2{1|Ru<6>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1320	0.253	2	108.1320	0.064	2	108.2374	0.754	7	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]B[6]Ru)(S[6]C[6]Ru)(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]B[6]Ru)(S[6]C[6]Ru)(H)2{1|S<2>,1|S<3>,3|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.5930	0.000	1	107.6400	0.004	2	107.4253	0.140	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]B[6]Ru)(S[6]C[6]Ru)(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]B[6]Ru)(S[6]C[6]Ru)(H)2{1|S<3>,2|H<1>,2|S<2>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	107.6870	0.000	1	107.6400	0.004	2	107.4253	0.140	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	S[6]-3:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]Rh)2(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6]Rh)2(H)2{1|C<4>,4|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	106.9960	0.000	1	106.9960	0.000	1	107.4253	0.140	3	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:3:1:1:	4:	4:	Si[6]-3:Si[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6])2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6])2(H)2{1|Si<3>,4|C<3>,4|H<1>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	107.7046	0.197	5	107.7046	0.039	5	107.7046	0.039	5	107.7837	12.521	1755	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	B[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.0715	0.009	2	107.0715	0.000	2	107.2807	0.058	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	B[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]O[6])(C[6]P[5,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.4950	0.000	1	107.4950	0.000	1	107.2807	0.058	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	B[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]O[6])(C[6]P[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.4850	0.000	1	107.4850	0.000	1	107.2807	0.058	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9950	0.000	1	107.9950	0.000	1	107.9302	0.149	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1920	0.000	1	108.1920	0.000	1	107.9302	0.149	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]O[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.3920	0.000	1	108.3920	0.000	1	107.9302	0.149	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5200	0.000	1	107.5360	0.001	2	107.9302	0.149	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5520	0.000	1	107.5360	0.001	2	107.9302	0.149	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[4,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[4,6]C[6,6]H)	H(C[6]C[4,6]C[6,6]H)	C[6](C[4,6]C[4,5,6]C[4,6])(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6,6]H)	H(C[6]C[4,6]C[6,6]H)	108.5423	0.078	3	108.5423	0.006	3	108.5423	0.006	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8180	0.000	1	107.8180	0.000	1	108.0535	0.111	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2890	0.000	1	108.2890	0.000	1	108.0535	0.111	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[4,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.2625	0.022	2	108.2625	0.000	2	108.6723	0.298	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.2860	0.000	1	108.2860	0.000	1	108.6723	0.298	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	109.4560	0.013	2	109.1120	0.355	3	108.6723	0.298	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.4240	0.000	1	109.1120	0.355	3	108.6723	0.298	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]C[5,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.5590	0.000	1	108.5590	0.000	1	108.6723	0.298	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[3,5])(C[6,6]C[5,6]C[6,6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9840	0.000	1	107.9840	0.000	1	108.4075	0.510	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6a]C[5])(C[6,6]C[6,6]N[6]H)(H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	109.4760	0.000	1	109.4760	0.000	1	108.4075	0.510	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]2C)(H)2{2|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0850	0.048	2	108.0850	0.002	2	108.4075	0.510	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2360	0.000	1	108.2360	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	102.2840	0.000	1	102.2840	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]CH)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.7200	0.000	1	109.7200	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3700	0.000	1	108.5127	0.021	3	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5840	0.110	2	108.5127	0.021	3	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5250	0.000	1	108.5250	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6580	0.000	1	108.3985	0.135	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1390	0.000	1	108.3985	0.135	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0980	0.191	2	108.0980	0.036	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4110	0.000	1	109.4110	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9390	0.000	1	108.9390	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]CH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.6290	0.000	1	106.6290	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2700	0.000	1	108.3023	0.005	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3440	0.000	1	108.3023	0.005	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2200	0.000	1	108.3023	0.005	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3750	0.000	1	108.3023	0.005	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.6230	0.000	1	109.6230	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0260	0.000	1	108.0410	0.000	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0560	0.000	1	108.0410	0.000	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9650	0.000	1	108.6790	1.020	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3930	0.000	1	108.6790	1.020	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0540	0.000	1	108.0540	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6060	0.000	1	108.6060	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.6480	0.000	1	107.8586	3.029	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.2420	0.000	1	107.8586	3.029	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|Si<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3775	1.285	2	107.8586	3.029	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6480	0.000	1	107.8586	3.029	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3760	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1320	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2450	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2290	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1285	0.047	2	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1980	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1950	0.061	2	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3080	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0440	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1000	0.000	1	108.1899	0.009	12	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4630	0.000	1	108.6870	1.204	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HO)(H)2{1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9110	0.000	1	108.6870	1.204	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]CH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0300	0.000	1	108.0300	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3340	0.000	1	107.8663	0.577	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0570	0.000	1	107.8663	0.577	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9150	0.000	1	107.8663	0.577	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2750	0.000	1	107.8663	0.577	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Si<4>,1|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.1750	0.000	1	107.8663	0.577	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1540	0.099	2	107.8663	0.577	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9490	0.000	1	107.4210	1.428	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1900	0.000	1	107.4210	1.428	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9070	0.000	1	107.4210	1.428	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6380	0.000	1	107.4210	1.428	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2397	0.161	3	108.5114	0.152	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9190	0.044	2	108.5114	0.152	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0350	0.000	1	108.1255	0.016	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CO)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2160	0.000	1	108.1255	0.016	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|Se<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8065	0.016	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8040	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2283	0.159	8	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3590	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0790	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3200	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.7410	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6613	0.569	3	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1810	0.190	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8600	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8120	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9410	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9890	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5040	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	99.7840	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2090	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2233	0.124	3	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7192	0.875	5	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7932	0.130	13	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6467	0.880	27	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<5>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7607	0.102	3	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.6960	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.3430	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2640	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9420	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0690	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2080	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5207	2.035	3	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0550	0.037	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6797	0.832	3	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4610	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.7010	5.394	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1240	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1680	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8310	0.028	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9750	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8860	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8480	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3770	0.123	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1520	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7455	0.862	2	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1680	0.000	1	107.8503	1.673	108	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2360	0.107	4	108.2360	0.012	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(H)2{2|Se<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0350	0.000	1	108.0350	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6a]O[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4310	0.000	1	108.4310	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.1450	0.000	1	105.1450	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2550	0.000	1	108.2550	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<2>,1|P<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1790	0.000	1	108.1854	0.017	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,2|P<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1870	0.150	4	108.1854	0.017	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[5a,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9000	0.000	1	107.9000	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5790	0.000	1	108.2087	0.369	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0520	0.000	1	108.2087	0.369	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9660	0.071	5	108.2087	0.369	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9622	0.070	4	108.0291	0.011	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1610	0.001	2	108.0291	0.011	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0330	0.000	1	108.0291	0.011	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2740	0.000	1	105.2580	18.193	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	102.2420	0.000	1	105.2580	18.193	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3595	0.009	2	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1595	0.067	2	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3820	0.000	1	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2090	0.000	1	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4383	0.085	7	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1820	0.000	1	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1660	0.000	1	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2970	0.212	3	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4893	0.077	3	108.2097	0.166	21	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6a]N[6]H)(H)2{2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1790	0.000	1	108.1790	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3390	0.000	1	108.3390	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7253	1.169	17	107.7327	1.287	18	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8580	0.000	1	107.7327	1.287	18	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1680	0.000	1	108.1303	0.001	3	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1115	0.011	2	108.1303	0.001	3	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3157	0.123	7	108.3581	0.016	11	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4322	0.102	4	108.3581	0.016	11	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0252	0.094	4	108.0252	0.009	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6,6a]HH)(H)2{1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.6370	0.000	1	111.6370	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4022	1.406	9	108.4287	1.765	10	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6670	0.000	1	108.4287	1.765	10	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2300	0.112	5	108.1979	0.012	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1175	0.057	2	108.1979	0.012	7	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8420	0.000	1	107.8420	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5485	0.013	2	107.0623	7.186	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0980	0.000	1	107.0623	7.186	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	103.0540	0.000	1	107.0623	7.186	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9580	0.000	1	107.9580	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	112.9810	0.000	1	112.9810	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3310	0.000	1	108.3035	0.002	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2760	0.000	1	108.3035	0.002	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3580	0.000	1	108.3580	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1565	0.210	2	108.1565	0.044	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1900	0.071	4	108.1900	0.005	4	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1570	0.000	2	108.0710	0.016	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0137	0.140	3	108.0710	0.016	5	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0527	0.064	3	108.0527	0.004	3	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2895	0.043	2	108.2895	0.002	2	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6a]C[5,6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2690	0.000	1	108.2690	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]Se[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2880	0.000	1	108.2880	0.000	1	108.0195	1.347	306	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	H(C[6]C[5a,6]C[3x6]H)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[3x6]H)	H(C[6]C[5a,6]C[3x6]H)	108.3750	0.024	2	108.3730	0.001	6	108.3730	0.001	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[3x6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2	H(C[6]C[5a,6]C[3x6]H)	H(C[6]C[5a,6]C[3x6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[3x6]H)	H(C[6]C[5a,6]C[3x6]H)	108.3720	0.034	4	108.3730	0.001	6	108.3730	0.001	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.4110	0.000	1	108.4110	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6]C[5]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.2660	0.000	1	108.2660	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.2450	0.000	1	108.2450	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|S<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.1020	0.024	2	108.1020	0.001	2	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.2830	1.608	3	108.2830	2.585	3	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.9890	0.000	1	108.9890	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.7805	0.124	2	108.7805	0.015	2	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.0570	0.000	1	108.0570	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.2812	0.032	4	108.2812	0.001	4	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6,6]N[5,6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.1790	0.000	1	108.1790	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.2380	0.000	1	108.2380	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5,6]C)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]N[5,6]C)(H)2{1|N<3>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	107.7370	0.180	2	107.7370	0.032	2	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.0955	0.022	2	108.0955	0.000	2	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]N[5,6]C[5]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.3900	0.000	1	108.3900	0.000	1	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.5377	0.060	3	108.5377	0.004	3	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.7080	0.000	1	108.3522	0.043	6	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.1695	0.015	2	108.3522	0.043	6	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.3660	0.140	2	108.3522	0.043	6	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.3340	0.000	1	108.3522	0.043	6	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5]H)(H)2{1|B<4>,1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	109.2090	1.474	2	109.2090	2.172	2	108.3624	0.338	34	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	107.8930	0.030	2	107.8930	0.001	2	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.3780	0.000	1	108.0808	0.321	11	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	107.6290	0.000	1	108.0808	0.321	11	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.1580	0.048	3	108.0808	0.321	11	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	106.5990	0.000	1	108.0808	0.321	11	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6,6]C[6,6]N[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.3618	0.277	5	108.0808	0.321	11	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	113.4880	0.000	1	108.1495	1.103	28	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	107.9304	0.078	23	108.1495	1.103	28	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.0913	0.082	3	108.1495	1.103	28	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.0240	0.000	1	108.1495	1.103	28	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|H<1>,2|N<3>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2210	0.000	1	108.2210	0.000	1	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	107.9500	0.000	1	107.9500	0.000	1	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|O<2>,6|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2150	0.000	1	103.5259	38.945	3	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	105.9200	0.000	1	103.5259	38.945	3	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	96.4428	0.000	1	103.5259	38.945	3	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(H)2{1|H<1>,3|C<3>,3|O<2>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2998	0.115	4	108.2998	0.013	4	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6]3)(H)2{1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.0170	0.083	5	108.0170	0.007	5	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]2C)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2190	0.000	1	108.2190	0.000	1	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2353	0.111	9	108.0684	0.310	22	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.1093	0.077	7	108.0684	0.310	22	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2040	0.000	1	108.0684	0.310	22	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.1220	0.000	1	108.0684	0.310	22	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	107.3553	1.505	3	108.0684	0.310	22	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2300	0.000	1	108.0684	0.310	22	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2770	0.000	1	108.3380	0.007	2	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6]2O[6])(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.3990	0.000	1	108.3380	0.007	2	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2136	0.155	8	108.2136	0.024	8	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.1600	0.000	1	108.1600	0.000	1	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5,6]N[6,6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	102.8540	0.000	1	102.8540	0.000	1	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[5a,6]C[6,6]H)(H)2{1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2935	0.107	2	108.2935	0.011	2	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]N[6,6]H)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.0720	0.110	3	108.0720	0.012	3	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]N[6,6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.2130	0.000	1	108.2130	0.000	1	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6]3)(H)2{1|O<1>,2|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	107.8560	0.362	2	107.8560	0.131	2	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	110.0390	0.000	2	108.5409	1.053	9	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.3890	0.000	1	108.5409	1.053	9	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.3300	0.123	3	108.5409	1.053	9	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	108.3950	0.151	2	108.5409	1.053	9	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,2|N<3>}	H(C[6]C[5a,6]C[6,6]H)	H(C[6]C[5a,6]C[6,6]H)	106.6210	0.000	1	108.5409	1.053	9	107.9777	2.052	107	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5,5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Se<3>,1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1215	0.029	2	108.1215	0.001	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1250	0.000	1	108.1250	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9399	0.650	12	107.9399	0.423	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]N[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8920	0.000	1	107.8920	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0350	0.057	2	108.0135	0.010	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8810	0.000	1	108.0135	0.010	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1030	0.000	1	108.0135	0.010	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.6630	0.000	1	108.6630	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3530	0.000	1	108.3530	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5290	0.000	1	108.4180	0.025	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3070	0.000	1	108.4180	0.025	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2320	0.000	1	108.2320	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2183	0.134	3	108.2183	0.018	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3140	0.189	8	108.3140	0.036	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2800	0.000	1	108.2755	0.014	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2740	0.145	3	108.2755	0.014	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]C[5a])(C[6]S[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1210	0.000	1	108.1210	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1070	0.000	1	108.1070	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	111.5640	0.000	1	111.5640	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1511	0.099	11	108.1511	0.010	11	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1030	0.000	1	108.1030	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8920	0.000	1	107.8920	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4080	0.000	2	108.4080	0.000	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5,6]SiH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0280	0.000	1	108.0280	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.5700	0.000	1	107.5700	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9260	0.000	1	107.9260	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2675	0.141	2	107.9929	0.633	14	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3575	0.185	2	107.9929	0.633	14	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.2003	1.658	3	107.9929	0.633	14	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2670	0.130	4	107.9929	0.633	14	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0545	0.021	2	107.9929	0.633	14	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8720	0.000	1	107.9929	0.633	14	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9355	0.073	2	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4470	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0284	0.098	10	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9960	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|I<1>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1975	0.138	4	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|N<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1960	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7235	0.838	4	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0150	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1320	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	105.1240	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1745	0.081	2	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1897	0.044	3	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.6786	1.612	7	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2180	0.165	2	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2040	0.040	2	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8226	0.494	23	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0640	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1610	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2510	0.000	1	108.0097	0.547	68	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2845	0.025	4	108.2845	0.001	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|S<2>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9990	0.000	1	108.2025	0.035	11	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3075	0.050	2	108.2025	0.035	11	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4213	0.041	3	108.2025	0.035	11	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0698	0.106	5	108.2025	0.035	11	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4320	0.000	1	108.4320	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3280	0.160	2	108.2335	0.022	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1620	0.167	4	108.2335	0.022	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5,5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2820	0.000	2	108.2335	0.022	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[5a,6]HH)(H)2{1|B<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8855	0.006	2	107.8855	0.000	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	103.8960	0.000	1	103.8960	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	106.4910	0.000	1	108.0507	0.592	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3210	0.038	4	108.0507	0.592	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5290	0.000	1	108.0507	0.592	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1657	0.292	3	108.1657	0.085	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3400	0.033	2	108.3928	0.019	5	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5285	0.067	2	108.3928	0.019	5	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2270	0.000	1	108.3928	0.019	5	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0380	0.103	2	108.0380	0.011	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]CS)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4150	0.000	1	108.4150	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4960	0.000	1	108.0307	0.640	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5580	0.000	1	108.0307	0.640	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.4325	1.402	2	108.0307	0.640	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1325	0.067	2	108.0307	0.640	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4370	0.000	1	108.4370	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4315	0.080	2	108.3963	0.007	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3260	0.000	1	108.3963	0.007	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1480	0.000	1	106.8218	1.882	17	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	106.8425	1.713	2	106.8218	1.882	17	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1510	0.000	1	106.8218	1.882	17	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	106.6144	1.387	13	106.8218	1.882	17	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3180	0.000	1	108.1317	0.029	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9880	0.000	1	108.1317	0.029	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0890	0.000	1	108.1317	0.029	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1113	0.084	3	108.1912	0.014	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2840	0.000	1	108.1912	0.014	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2645	0.136	2	108.1912	0.014	6	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3720	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1097	0.170	3	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5180	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2620	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1410	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1885	0.071	2	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3147	0.052	7	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.4425	1.370	4	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4330	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1730	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	103.0660	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3150	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3220	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	100.6450	0.000	1	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3270	0.166	7	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3163	0.035	3	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1703	0.519	3	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	102.4821	8.364	2	107.6010	5.332	41	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1860	0.000	1	108.1273	0.039	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8770	0.000	1	108.1273	0.039	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0980	0.000	1	108.1273	0.039	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3480	0.000	1	108.1273	0.039	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|S<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5540	0.000	2	108.5540	0.000	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	106.5350	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4150	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4670	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	109.5320	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3535	0.042	2	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.6410	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2290	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4780	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	109.0025	0.636	2	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9820	0.000	1	108.4159	0.561	12	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4057	0.134	3	108.4057	0.018	3	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5830	0.000	1	108.5830	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3780	0.000	1	108.3780	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3460	0.000	1	108.3460	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.6805	3.434	2	108.3899	1.529	9	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3069	0.190	7	108.3899	1.529	9	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2100	0.000	1	108.2100	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5132	0.105	4	108.4530	0.012	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3650	0.081	3	108.4530	0.012	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4760	0.000	1	108.4530	0.012	8	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	109.1270	0.000	1	109.1270	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]O[6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5330	0.000	2	108.5330	0.000	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2510	0.000	1	108.3270	0.012	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4030	0.000	1	108.3270	0.012	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.7040	0.000	2	108.7040	0.000	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	109.5390	0.000	1	109.5390	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9780	0.000	1	107.9780	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1330	0.000	1	108.1330	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	105.7765	1.199	2	105.7765	1.437	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3270	0.000	1	108.2847	1.113	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1460	0.000	1	108.2847	1.113	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5750	0.000	1	108.2847	1.113	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1874	0.905	41	108.2847	1.113	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	112.3810	0.000	1	108.2847	1.113	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9840	0.000	1	108.2847	1.113	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3105	0.015	2	108.3920	0.004	10	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4405	0.022	2	108.3920	0.004	10	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4030	0.052	6	108.3920	0.004	10	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1460	0.024	2	108.1460	0.001	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.4240	0.000	1	107.4240	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0860	0.000	1	108.0860	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0313	0.142	13	108.0313	0.020	13	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1400	0.099	2	108.1325	0.006	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1250	0.083	2	108.1325	0.006	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.1250	0.000	1	107.1250	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]ClC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7920	0.000	1	107.7920	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1750	0.099	2	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1465	0.166	11	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2445	0.016	2	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.4621	1.036	13	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1710	0.000	1	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1160	0.089	2	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2730	0.000	1	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0116	0.516	9	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7405	0.083	4	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|S<2>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7350	0.000	1	107.8899	0.431	46	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3660	0.222	5	108.3660	0.049	5	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]C)(H)2{1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5770	0.000	1	108.5770	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0250	0.000	1	108.0250	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2000	0.000	1	108.2000	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0810	0.000	1	108.0810	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.8110	1.349	4	108.8110	1.821	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	109.2935	0.422	2	108.3335	0.294	30	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2660	0.514	25	108.3335	0.294	30	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2560	0.128	3	108.3335	0.294	30	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0487	0.231	7	108.0487	0.053	7	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	109.4046	2.834	5	108.7980	4.533	9	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0397	0.049	4	108.7980	4.533	9	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3523	0.343	28	108.2312	0.318	60	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2433	0.040	3	108.2312	0.318	60	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2490	0.000	3	108.2312	0.318	60	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1720	0.000	1	108.2312	0.318	60	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0351	0.843	21	108.2312	0.318	60	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4055	0.052	4	108.2312	0.318	60	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1905	0.156	4	108.1905	0.024	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4116	0.120	7	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3120	0.199	2	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1095	0.211	2	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0740	0.000	1	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0930	0.000	1	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0550	0.000	1	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4490	0.068	3	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3525	0.197	4	108.3192	0.034	21	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4700	0.000	1	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4300	0.000	1	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4200	0.000	1	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1772	0.092	5	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0900	0.565	7	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2560	0.000	1	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7500	0.000	1	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.3780	0.055	3	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1818	0.350	4	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2620	0.069	3	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2324	0.092	7	108.2093	0.090	34	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4150	0.000	1	108.4555	0.003	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.4960	0.000	1	108.4555	0.003	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]S[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8065	0.039	2	107.8065	0.002	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6,6a]N[5a]H)(H)2{1|N<2>,6|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2170	0.000	1	108.2170	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,5a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1190	0.000	1	108.1190	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.8830	0.000	1	107.8830	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1960	0.000	1	108.1960	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9175	0.063	2	107.8335	0.011	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.7495	0.046	2	107.8335	0.011	4	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9300	0.000	1	107.9300	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.5060	0.000	1	108.5060	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.1570	0.000	1	108.1570	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	107.9890	0.010	2	107.9890	0.000	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.0290	0.000	1	108.0290	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	106.9455	0.078	2	106.9455	0.006	2	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6]H)	H(C[6]C[5a,6]C[6]H)	108.2500	0.000	1	108.2500	0.000	1	108.1002	0.898	642	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.0170	0.000	1	108.0170	0.000	1	109.0320	1.721	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	111.3140	0.000	1	111.3140	0.000	1	109.0320	1.721	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.3360	0.000	1	108.3360	0.000	1	109.0320	1.721	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[5a,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]N[6]H)	H(C[6]C[5a,6]N[6]H)	108.7465	0.012	2	108.7465	0.000	2	109.0320	1.721	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	108.3160	0.000	1	108.3160	0.000	1	108.3160	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]C[6,6])(C[5,6]O[5]2O[6])(H)2{1|N<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8545	0.123	6	107.8545	0.015	6	107.8329	0.021	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0250	0.000	1	108.0250	0.000	1	107.8329	0.021	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8930	0.000	1	107.7257	0.021	3	107.8329	0.021	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6420	0.001	2	107.7257	0.021	3	107.8329	0.021	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]3)(H)2{2|H<1>,2|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.1880	0.000	1	108.1880	0.000	1	106.2990	7.137	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6]O[6]2)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	104.4100	0.000	1	104.4100	0.000	1	106.2990	7.137	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6940	0.000	1	107.6940	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8200	0.042	2	107.8200	0.002	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2930	0.000	1	107.2930	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4570	0.000	1	107.9487	0.060	10	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1590	0.044	2	107.9487	0.060	10	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8510	0.000	1	107.9487	0.060	10	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9405	0.046	2	107.9487	0.060	10	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7450	0.074	4	107.9487	0.060	10	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HO)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6050	0.000	1	107.6050	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9440	0.000	2	107.9440	0.000	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4790	0.000	1	109.4790	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9850	0.000	1	107.8560	0.033	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6])(C[6]C[4x6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7270	0.000	1	107.8560	0.033	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8280	0.000	2	107.7577	0.015	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6170	0.000	1	107.7577	0.015	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	99.3833	0.000	1	99.3833	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6890	0.000	1	107.8920	0.031	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9800	0.000	1	107.8920	0.031	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0070	0.000	1	107.8920	0.031	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[5a]O[6]H)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2910	0.000	1	108.2910	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9520	0.000	1	107.6595	0.054	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9315	0.073	2	107.6595	0.054	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7310	0.000	1	107.6595	0.054	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5263	0.205	8	107.6595	0.054	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7385	0.064	2	107.6595	0.054	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2110	0.000	2	108.2018	0.007	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0880	0.000	1	108.2018	0.007	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2970	0.000	1	108.2018	0.007	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2040	0.000	1	108.1640	0.622	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0660	0.000	1	108.1640	0.622	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5150	0.000	1	108.1640	0.622	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8080	0.000	1	108.1640	0.622	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8700	0.000	1	108.1640	0.622	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5210	0.000	1	108.1640	0.622	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9130	0.000	1	107.9130	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6690	0.000	1	107.6690	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8770	0.000	1	107.8770	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4070	0.000	1	107.4070	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7500	0.115	2	107.7500	0.013	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6330	0.000	1	107.7528	0.798	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1675	0.364	2	107.7528	0.798	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2030	1.204	3	107.7528	0.798	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4584	0.910	7	107.7528	0.798	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	102.5230	0.000	1	105.0005	12.276	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4780	0.000	1	105.0005	12.276	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5230	0.000	1	107.5600	0.003	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5970	0.000	1	107.5600	0.003	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7645	0.078	2	107.7645	0.006	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7570	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8440	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6730	0.041	2	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6200	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7110	0.147	2	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5055	0.088	2	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9150	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3760	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9510	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3420	0.000	1	107.5834	0.299	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.9030	0.000	1	109.9030	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8690	0.000	1	107.8690	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]O[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0260	0.000	1	108.0260	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.5440	0.000	1	104.5440	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0470	0.021	2	108.3020	0.581	5	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2320	0.000	1	108.3020	0.581	5	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5970	0.000	1	108.3020	0.581	5	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5870	0.000	1	108.3020	0.581	5	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7740	0.000	1	107.6600	0.026	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5460	0.000	1	107.6600	0.026	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8165	0.062	2	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9100	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1590	0.264	3	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8721	0.456	56	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5998	0.741	13	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8110	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9880	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8405	0.784	2	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8140	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1240	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0840	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6120	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6175	0.236	4	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8165	0.021	2	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	114.5010	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2020	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0652	1.101	42	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7790	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1060	0.000	1	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9790	0.089	3	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5637	0.884	15	107.9189	0.843	153	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.8480	0.000	1	104.8480	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HS)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8642	0.108	5	107.8642	0.012	5	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3070	0.035	2	108.3070	0.001	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1080	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9180	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0503	1.868	7	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3770	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9250	0.239	4	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8670	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3580	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8170	0.218	2	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0740	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0260	0.000	1	107.9673	1.090	21	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6875	0.148	2	107.6875	0.022	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]BrH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3860	0.201	2	108.3860	0.040	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0320	8.250	3	107.7992	11.442	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2580	0.000	1	107.7992	11.442	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6703	0.071	3	107.7992	11.442	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2910	0.000	1	107.7992	11.442	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6940	0.000	1	107.7992	11.442	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7597	0.389	4	107.7992	11.442	13	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.2620	0.000	1	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5987	0.274	3	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9550	0.000	1	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2870	0.000	1	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9240	0.000	1	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|Br<1>,1|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7680	0.000	1	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8520	0.057	3	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0045	0.148	2	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7060	0.000	1	107.6616	0.527	14	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1020	0.000	1	108.1566	0.027	12	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3373	0.136	3	108.1566	0.027	12	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2290	0.110	2	108.1566	0.027	12	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0512	0.118	6	108.1566	0.027	12	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|Si<4>,1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7010	0.120	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0830	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0560	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1890	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9408	0.638	18	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9363	0.178	4	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8000	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7650	0.061	4	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7180	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8690	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7510	0.182	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1930	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0010	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7903	0.037	3	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9020	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9260	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8897	0.202	3	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9600	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0922	0.843	9	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1300	0.192	4	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1360	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9145	0.176	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9617	0.129	3	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2604	0.725	31	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8270	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1900	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1110	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.2710	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3080	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6950	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.8540	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0050	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3370	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<11>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2390	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Zr<7>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0675	0.094	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0280	0.159	3	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9870	0.199	5	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9170	0.228	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7950	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.6790	0.000	1	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8410	0.086	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9534	0.211	8	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9610	0.202	2	108.0603	0.441	134	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5880	0.000	1	108.1920	0.412	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9593	0.199	6	108.1920	0.412	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9830	0.000	1	107.9789	0.137	101	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7535	0.013	2	107.9789	0.137	101	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9180	0.069	2	107.9789	0.137	101	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9848	0.379	96	107.9789	0.137	101	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HP)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0730	0.000	1	108.0730	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7250	0.000	1	107.7250	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7340	0.231	2	107.8483	0.066	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N[5]H)(H)2{3|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0770	0.000	1	107.8483	0.066	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|C<2>,1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6100	0.000	1	107.8841	0.138	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1340	0.000	1	107.8841	0.138	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6940	0.000	1	107.8841	0.138	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6980	0.154	3	107.8841	0.138	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(H)2{7|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6570	0.000	1	107.8841	0.138	7	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]O)(H)2{1|S<4>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8100	0.000	1	107.8100	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7960	0.000	1	107.8854	0.004	8	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8981	0.053	7	107.8854	0.004	8	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2190	0.030	2	108.2190	0.001	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	102.7420	0.000	1	102.7420	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1230	0.000	1	108.1230	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7253	0.013	3	107.7253	0.000	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1250	0.000	2	108.1250	0.000	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9650	0.000	2	107.9650	0.000	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9490	0.028	2	107.9490	0.001	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6915	0.053	2	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6885	0.028	2	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7357	0.094	4	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9290	0.000	1	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6938	0.487	64	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9996	1.150	28	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6390	0.000	1	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6581	0.099	29	107.7538	0.409	131	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0050	0.000	1	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9930	0.000	1	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8195	0.162	2	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8615	0.045	2	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7380	0.000	1	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9779	0.082	8	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3666	0.984	13	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6400	0.000	1	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9540	0.074	3	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2037	0.454	6	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4160	0.000	1	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3520	0.529	2	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0270	0.000	1	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9512	0.108	12	108.0736	0.340	54	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9330	0.000	1	107.9330	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2450	0.000	1	108.2450	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2015	0.080	2	108.2015	0.006	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1700	0.000	1	108.1700	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9930	0.000	1	108.2835	0.048	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3803	0.123	3	108.2835	0.048	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0610	0.000	1	108.0610	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2265	0.139	2	108.2265	0.019	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8800	0.680	5	107.9287	0.384	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1720	0.000	1	107.9287	0.384	6	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7522	0.105	17	107.7636	0.185	113	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7657	0.465	96	107.7636	0.185	113	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8800	0.000	1	108.0237	0.034	41	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9795	0.092	15	108.0237	0.034	41	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0612	0.224	24	108.0237	0.034	41	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9310	0.000	1	108.0237	0.034	41	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0870	0.000	1	107.8883	0.031	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8310	0.000	1	107.8883	0.031	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6a]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7470	0.000	1	107.8883	0.031	3	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8820	0.000	1	107.8820	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6780	0.000	1	107.6780	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9395	0.105	2	107.8850	0.012	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8305	0.117	2	107.8850	0.012	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2720	0.000	1	108.2720	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9410	0.000	1	107.9410	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]2O[6])(H)2{1|B<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4290	0.000	1	107.4290	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]C)(H)2{1|B<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7390	0.000	1	107.7390	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7632	0.113	4	107.7632	0.013	4	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]CH)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5270	0.000	1	107.5270	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]HH)(H)2{1|B<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8615	0.124	2	107.8615	0.015	2	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1750	0.000	1	108.1750	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0610	0.000	1	108.0610	0.000	1	107.8882	0.677	981	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	108.0850	0.000	1	107.8775	0.086	2	108.0085	0.031	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	107.6700	0.000	1	107.8775	0.086	2	108.0085	0.031	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	107.9900	0.000	1	108.0740	0.007	4	108.0085	0.031	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	H(C[6]C[6,6a]B[6]H)	H(C[6]C[6,6a]B[6]H)	108.1020	0.072	3	108.0740	0.007	4	108.0085	0.031	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	107.3270	0.016	2	107.3270	0.000	2	105.8958	5.281	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	106.2540	0.000	1	106.2540	0.000	1	105.8958	5.281	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	105.2573	3.885	3	105.2573	15.096	3	105.8958	5.281	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	105.7290	0.000	1	105.7290	0.000	1	105.8958	5.281	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	104.7570	0.000	1	104.7570	0.000	1	105.8958	5.281	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2{1|N<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	108.4620	0.000	1	108.4620	0.000	1	109.0580	0.710	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2{1|N<2>,1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	109.6540	0.000	1	109.6540	0.000	1	109.0580	0.710	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[4,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2	H(C[6]C[6,6a]C[4,6]H)	H(C[6]C[6,6a]C[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[4,6]H)	H(C[6]C[6,6a]C[4,6]H)	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0790	0.071	2	108.0790	0.005	2	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9710	0.000	1	107.9710	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9757	0.076	3	107.9757	0.006	3	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.8755	0.141	2	107.8755	0.020	2	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.7180	0.000	1	107.7180	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.4250	0.000	1	108.4250	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.5790	0.000	1	107.7480	0.057	2	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9170	0.000	1	107.7480	0.057	2	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|Br<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	105.6490	0.000	1	107.5111	0.572	9	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9960	0.000	1	107.5111	0.572	9	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0510	0.000	1	107.5111	0.572	9	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0150	0.123	2	107.5111	0.572	9	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.6340	0.000	1	107.5111	0.572	9	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.4133	0.084	3	107.5111	0.572	9	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0510	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1575	0.016	2	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9380	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1935	0.146	2	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0643	0.242	3	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.4990	3.912	3	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.6950	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.8100	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1760	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0920	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1810	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.4530	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	109.4540	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.6640	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0240	0.000	1	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1185	0.226	2	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0650	0.092	4	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9180	0.147	2	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9605	0.053	2	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9760	0.006	2	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.7901	0.129	7	108.0417	0.894	40	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.8850	0.000	1	108.1813	0.053	4	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1970	0.041	2	108.1813	0.053	4	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.4460	0.000	1	108.1813	0.053	4	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9550	0.000	1	107.9550	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.3125	0.049	2	107.9437	0.256	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.4690	0.000	1	107.9437	0.256	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1190	0.000	1	107.9437	0.256	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2245	0.127	2	107.9437	0.256	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1730	0.000	1	108.1730	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.3570	0.000	1	107.6810	0.210	2	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0050	0.000	1	107.6810	0.210	2	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	109.3203	0.842	3	109.3203	0.709	3	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0895	0.074	4	107.9038	0.109	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.2940	0.000	1	107.9038	0.109	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.7710	0.000	1	107.9038	0.109	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.7337	0.159	3	107.8044	0.028	7	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.6260	0.000	1	107.8044	0.028	7	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9347	0.097	3	107.8044	0.028	7	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1400	0.000	1	108.1400	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2344	0.098	52	108.2178	0.011	62	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1430	0.062	5	108.2178	0.011	62	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9790	0.055	2	108.2178	0.011	62	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2140	0.099	3	108.2178	0.011	62	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1280	0.000	1	108.1280	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9950	0.000	1	107.9950	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9940	0.103	6	107.9940	0.011	6	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	94.5566	0.000	1	94.5566	0.000	1	107.9932	1.459	163	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5620	0.000	1	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6545	0.001	2	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	104.9670	0.000	1	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6550	0.059	4	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	106.9233	1.464	3	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	106.6725	2.095	10	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	106.9518	1.956	8	106.9506	2.809	29	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5850	0.000	1	107.5850	0.000	1	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|C<2>,1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3620	0.000	1	108.3768	9.095	12	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5840	0.082	2	108.3768	9.095	12	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.5968	4.670	5	108.3768	9.095	12	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5018	0.102	4	108.3768	9.095	12	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.9150	0.051	3	108.0359	0.026	9	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.1517	0.238	3	108.0359	0.026	9	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0410	0.042	3	108.0359	0.026	9	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0315	0.033	2	108.0315	0.001	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.2227	0.275	13	108.2227	0.076	13	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5950	0.000	1	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4960	0.000	1	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4197	0.095	4	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3880	0.000	1	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5920	0.000	1	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4883	0.023	3	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5857	0.201	3	107.4980	0.014	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5290	0.000	1	107.6310	0.021	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7330	0.000	1	107.6310	0.021	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.4010	0.000	1	109.4010	0.000	1	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3850	0.000	1	107.7600	0.064	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7660	0.024	2	107.7600	0.064	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7850	0.000	1	107.7600	0.064	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0980	0.000	1	107.7600	0.064	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8410	0.000	1	107.6465	0.076	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4520	0.000	1	107.6465	0.076	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4015	0.067	2	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8105	0.122	4	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8710	0.000	1	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7980	0.000	1	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.2700	0.279	2	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4427	0.055	3	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3270	0.000	1	107.8506	0.411	14	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.1110	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7460	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3770	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0865	0.229	4	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6625	0.100	2	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.9643	0.185	3	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.4705	0.497	2	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8917	0.051	3	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.5350	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4098	0.052	6	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0615	0.036	2	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7388	0.380	5	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6760	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6340	0.225	2	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0290	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0420	0.024	2	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	106.8990	0.000	1	107.8469	0.212	38	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8655	0.177	2	107.8655	0.032	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8080	0.000	1	106.9657	1.107	3	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	105.7860	0.000	1	106.9657	1.107	3	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3030	0.000	1	106.9657	1.107	3	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3490	0.000	1	107.3775	0.002	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4060	0.000	1	107.3775	0.002	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5403	0.054	4	107.5252	0.011	8	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5102	0.152	4	107.5252	0.011	8	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0980	0.000	1	107.6600	0.384	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.2220	0.000	1	107.6600	0.384	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0730	0.000	1	107.8890	0.016	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8660	0.000	1	107.8890	0.016	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8225	0.142	2	107.8890	0.016	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8610	0.000	1	107.8890	0.016	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3060	0.000	1	107.7074	0.117	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0550	0.095	2	107.7074	0.117	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6450	0.000	1	107.7074	0.117	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{2|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4760	0.000	1	107.7074	0.117	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	103.2490	0.000	1	107.5252	6.500	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.5640	0.000	1	107.5252	6.500	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.3770	0.000	1	107.5252	6.500	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5560	0.000	1	107.5252	6.500	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8800	0.000	1	107.5252	6.500	5	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.2220	0.121	5	108.1119	0.074	7	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8365	0.415	2	108.1119	0.074	7	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	105.2890	0.000	1	105.2890	0.000	1	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6920	0.000	1	107.6920	0.000	1	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5360	0.000	1	107.9312	0.134	13	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3670	0.000	1	107.9312	0.134	13	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.2041	0.060	8	107.9312	0.134	13	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.4935	0.084	2	107.9312	0.134	13	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5820	0.000	1	107.9312	0.134	13	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.3260	0.000	1	107.6865	0.260	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0470	0.000	1	107.6865	0.260	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6505	0.139	2	107.6505	0.019	2	107.7141	1.339	200	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5610	0.000	1	107.5610	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	102.6480	0.000	1	102.6480	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5480	0.249	5	107.5480	0.062	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	101.4750	0.000	1	101.4750	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8870	0.000	2	107.8870	0.000	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5210	0.000	1	107.5210	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2233	0.041	3	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4790	0.045	2	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7580	0.000	1	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7270	0.062	2	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9740	0.000	1	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0113	0.075	3	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1285	0.165	2	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0460	0.000	1	107.9434	0.067	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6358	0.072	6	107.6358	0.005	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0945	0.032	2	108.1686	0.012	14	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1809	0.114	12	108.1686	0.012	14	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5910	0.000	1	107.2363	0.107	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1700	0.000	1	107.2363	0.107	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.9480	0.000	1	107.2363	0.107	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8970	0.000	1	107.9387	0.008	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9595	0.117	2	107.9387	0.008	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1910	0.000	1	107.7120	1.532	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9760	0.000	1	107.7120	1.532	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8883	1.306	6	107.7120	1.532	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	105.9110	0.000	1	107.7120	1.532	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7070	0.000	1	107.7070	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3300	0.000	1	107.3300	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2170	0.000	1	107.2170	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9775	0.093	4	107.9775	0.009	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0594	0.797	21	108.0594	0.635	21	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.0980	1.732	3	107.0980	2.998	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0137	0.100	20	108.0137	0.010	20	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8900	0.000	1	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1045	0.032	2	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7955	0.058	6	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6940	0.000	1	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9597	0.169	9	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9459	0.929	42	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4170	0.000	1	107.9250	0.593	62	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5550	0.000	1	107.5550	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5240	0.000	1	107.5240	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.4017	3.208	3	107.1430	4.786	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9640	0.071	2	107.1430	4.786	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7250	0.000	1	107.1430	4.786	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.7690	0.000	1	106.7690	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7723	0.123	3	107.7723	0.015	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8410	0.000	1	107.8410	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9725	0.021	2	107.9725	0.000	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.4650	0.014	2	109.4650	0.000	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.6920	0.000	1	109.6920	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9350	0.000	1	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.7920	0.000	1	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9390	0.000	1	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9460	0.000	1	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2210	0.090	4	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5590	0.000	1	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.6655	0.634	2	108.0351	0.316	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0985	0.011	2	108.0985	0.000	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1940	0.000	1	108.1763	0.009	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1703	0.116	3	108.1763	0.009	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1800	0.000	1	107.1800	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8047	0.083	8	107.8047	0.007	8	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.7002	0.828	6	108.7002	0.685	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8570	0.000	1	107.8570	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5625	0.129	2	107.5625	0.017	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9920	0.000	1	107.9920	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8940	0.000	1	108.0738	0.013	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1187	0.063	4	108.0738	0.013	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2390	0.000	1	108.2390	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9770	0.000	1	107.9770	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4090	0.000	1	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1510	0.000	1	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6670	0.000	1	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7150	0.165	3	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8600	0.000	1	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7980	0.000	1	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1013	0.177	3	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3080	0.055	4	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8105	0.042	2	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.7610	0.764	2	108.0373	0.173	19	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	110.6660	0.000	1	108.4550	2.185	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7180	0.136	3	108.4550	2.185	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9805	0.149	2	107.9805	0.022	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2145	0.480	2	108.2145	0.231	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1130	0.000	1	108.1130	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8330	0.000	1	107.4746	2.649	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7490	0.000	1	107.4746	2.649	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.9275	0.503	2	107.4746	2.649	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9640	0.000	1	107.4746	2.649	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8910	0.000	1	107.4746	2.649	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.5858	2.089	5	107.4746	2.649	11	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1010	0.559	2	107.9368	0.140	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7725	0.006	2	107.9368	0.140	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7610	0.000	1	107.7610	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1435	0.189	2	108.1435	0.036	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2{1|C<3>,2|N<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8500	0.000	1	107.8500	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0250	0.055	3	108.0113	0.002	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9570	0.000	1	108.0113	0.002	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0290	0.000	1	108.0113	0.002	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0090	0.034	2	108.0113	0.002	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8220	0.522	2	107.8480	0.078	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7190	0.000	1	107.8480	0.078	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9940	0.000	1	107.8480	0.078	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8830	0.000	1	107.8480	0.078	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3557	0.387	3	108.3557	0.150	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.1540	0.000	1	106.1540	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7400	0.000	1	107.7400	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1250	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9260	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0615	0.266	4	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7790	0.113	3	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6488	0.133	4	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4735	0.006	2	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1675	0.166	11	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9940	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1970	0.496	5	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0667	0.249	4	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3065	0.842	4	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8504	0.248	13	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.7430	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.4430	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2135	0.019	2	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4810	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4020	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9305	0.494	2	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9059	0.172	8	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0285	1.006	6	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8508	0.631	17	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6180	0.000	1	108.0258	0.271	93	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6520	0.000	1	107.6520	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8870	0.000	1	107.8870	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7390	0.000	1	107.7390	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4257	0.110	3	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.8220	2.660	2	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6911	0.289	12	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8185	0.095	2	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4417	0.159	10	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6970	0.000	1	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5770	0.000	1	107.5336	0.329	31	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0415	0.179	6	108.0415	0.032	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7267	0.491	3	107.7558	0.123	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7995	0.074	2	107.7558	0.123	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9185	0.129	2	108.1513	0.468	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8494	0.105	8	108.1513	0.468	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.2670	1.047	2	108.1513	0.468	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3680	0.973	3	108.1513	0.468	15	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5820	0.000	1	107.5820	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8280	0.000	1	107.8730	0.004	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9180	0.000	1	107.8730	0.004	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7278	0.073	6	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9820	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9915	0.248	17	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8671	0.131	7	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3945	1.152	2	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6170	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1299	1.880	31	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8090	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7415	0.235	6	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2795	0.828	6	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2820	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6268	0.149	9	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3838	1.317	6	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7877	0.240	6	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7330	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8030	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7590	0.000	1	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5609	1.609	181	107.7092	2.133	284	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9260	0.000	1	107.6333	0.065	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5357	0.202	3	107.6333	0.065	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7200	0.000	1	107.7200	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0130	0.334	2	108.0130	0.111	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9910	0.156	3	107.9910	0.024	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8190	0.201	3	107.8190	0.040	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0620	0.000	1	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0683	0.111	9	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8350	0.146	3	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9650	0.000	1	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2210	0.164	2	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1310	0.000	1	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2517	0.406	22	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0760	0.000	1	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0830	0.177	3	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2666	0.793	98	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8994	0.475	15	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1513	0.105	3	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2280	0.000	1	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9107	0.739	3	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2145	0.036	2	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2046	0.084	9	108.1947	0.415	174	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2760	0.000	1	108.2760	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1430	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6263	0.107	3	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8610	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7760	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7900	0.054	2	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9210	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0280	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8920	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0970	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4885	0.990	4	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7375	0.112	2	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2887	0.397	4	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8600	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9495	0.368	2	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7900	0.000	1	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7795	0.086	4	107.9809	0.204	30	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3740	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2420	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2430	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1900	0.068	2	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9540	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	105.8120	3.488	3	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.0843	2.436	6	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1745	0.148	2	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7228	0.090	4	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7340	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6800	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3900	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	104.9730	4.148	2	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7910	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4090	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8830	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0650	0.000	1	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8044	0.222	5	107.2084	3.127	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9220	0.000	1	108.0555	0.036	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1890	0.000	1	108.0555	0.036	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5280	0.462	4	107.5584	0.113	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6420	0.000	1	107.5584	0.113	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5775	0.162	2	107.5584	0.113	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0360	0.000	1	108.0360	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2100	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6020	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8097	0.099	8	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8601	0.550	9	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1670	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6830	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.9887	1.145	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9490	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6695	0.084	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6732	1.899	12	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2640	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5430	0.154	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6820	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1090	0.059	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7827	0.261	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8780	0.153	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9610	0.287	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2225	0.446	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	105.9940	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.3950	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8649	1.449	10	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8216	0.468	9	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	102.6050	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9486	0.216	5	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.6809	0.814	8	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	110.0190	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9340	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8312	0.471	9	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9518	0.635	14	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6430	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1230	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1372	0.837	22	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8823	0.334	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8463	0.085	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5523	0.823	80	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8075	1.906	61	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9130	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3130	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	104.2323	7.871	5	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0920	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9540	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8625	0.059	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8110	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4610	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1364	0.383	17	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1590	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4900	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0653	0.423	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.1700	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0730	0.011	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7260	1.041	7	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6770	0.478	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2110	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0020	0.045	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9620	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0230	0.100	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8300	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9165	0.161	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9045	0.226	25	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2260	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0897	0.269	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3490	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0040	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1100	0.280	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2148	2.177	28	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0713	0.434	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8770	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1330	1.010	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.7380	0.809	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8997	0.088	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8920	0.272	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9020	0.000	1	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5430	0.074	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4161	2.291	14	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0744	0.035	5	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.6130	1.205	2	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6750	0.144	3	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0507	0.169	4	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0796	1.025	25	107.8220	2.063	483	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9600	0.000	1	108.1265	0.055	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2930	0.000	1	108.1265	0.055	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.6767	1.366	3	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	110.6720	0.000	1	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9510	0.000	1	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1640	0.000	1	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8880	0.000	1	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0950	0.000	1	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5455	0.077	2	107.7891	1.795	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3640	0.000	1	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6918	0.537	26	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5325	2.903	2	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9680	0.000	1	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0630	0.000	1	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0545	0.072	4	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	98.9014	0.000	1	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.1310	0.000	1	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1880	0.014	2	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9853	0.167	3	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1385	0.046	2	107.6433	2.264	44	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8580	0.263	3	107.9178	0.041	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9880	0.000	1	107.9178	0.041	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0270	0.000	1	107.9178	0.041	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2200	0.092	2	107.2200	0.008	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0490	0.000	1	108.0490	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6720	0.000	1	107.8297	0.019	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9085	0.029	2	107.8297	0.019	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>,3|N<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0080	0.000	1	107.8860	0.165	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2400	0.000	1	107.8860	0.165	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9960	0.000	1	107.8860	0.165	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3000	0.000	1	107.8860	0.165	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4390	0.000	1	108.1827	0.991	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6825	0.158	2	108.1827	0.991	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8180	0.206	2	108.1827	0.991	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8270	0.000	1	108.1827	0.991	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.8900	1.342	4	108.1827	0.991	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4040	0.000	1	108.4040	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8437	0.008	3	107.7917	0.933	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.2695	2.710	2	107.7917	0.933	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6210	0.000	1	107.7917	0.933	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0565	0.247	4	107.7917	0.933	10	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1450	0.000	1	108.1450	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4150	0.000	1	107.4150	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7443	0.209	3	107.7443	0.044	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.5525	1.815	4	108.1473	1.924	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6070	0.252	3	108.1473	1.924	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0087	0.080	3	108.0087	0.006	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8200	0.000	1	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9218	0.155	10	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0140	0.289	30	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9395	0.026	2	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7585	0.063	2	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6257	1.507	21	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1107	1.245	3	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9370	0.000	1	107.8323	0.793	70	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9470	0.000	1	107.9785	0.323	24	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9798	0.581	23	107.9785	0.323	24	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8960	0.000	1	107.8960	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0475	0.274	2	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9470	0.240	4	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.4890	1.849	3	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8490	0.000	1	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6956	1.867	37	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.6183	0.839	38	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0890	0.000	1	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8159	1.085	30	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7340	0.000	1	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1306	0.148	12	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8426	0.131	5	108.0411	1.601	134	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8030	0.000	1	107.8848	0.015	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8550	0.000	1	107.8848	0.015	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7190	0.000	1	107.8848	0.015	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7640	0.000	1	107.8848	0.015	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9644	0.101	5	107.8848	0.015	9	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1990	0.000	1	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9953	0.107	7	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8053	0.179	4	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1070	0.000	1	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9385	0.100	2	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9650	0.215	8	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5870	0.000	1	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3065	0.228	2	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2110	0.000	1	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6130	0.000	1	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9506	0.185	7	107.9648	0.044	35	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Au<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1850	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7656	0.056	5	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<1>,1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4480	0.170	2	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8730	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1490	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8378	0.614	6	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1980	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	105.4020	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8010	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	111.5805	2.183	2	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9005	0.698	78	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6630	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7460	1.004	6	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	95.2489	1.563	2	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Cu<5>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8210	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8637	1.149	29	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6625	0.175	2	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1170	2.177	3	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9970	0.221	10	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5990	0.259	2	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7420	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7210	0.000	1	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0293	0.233	3	107.7479	2.843	160	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4710	0.771	5	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0410	0.230	4	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1395	0.042	2	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6950	0.000	1	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1205	0.269	21	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2300	0.045	3	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9190	0.127	2	108.1461	0.133	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8810	0.000	1	107.8810	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9561	0.319	11	108.2574	0.639	16	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0140	0.000	1	108.2574	0.639	16	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.4877	1.214	3	108.2574	0.639	16	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1250	0.000	1	108.2574	0.639	16	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9990	0.000	1	107.9990	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5835	0.120	2	107.7307	0.016	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7896	0.069	5	107.7307	0.016	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7766	0.136	5	107.7766	0.019	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1928	0.127	18	108.1928	0.016	18	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8020	0.000	1	107.5598	0.097	25	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5497	0.313	24	107.5598	0.097	25	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8330	0.000	1	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3083	0.814	3	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	105.9190	1.073	2	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	105.4920	4.072	2	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6985	0.145	2	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.1330	1.510	13	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8530	0.000	1	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9900	0.000	1	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7877	0.031	3	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7943	0.097	3	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7270	0.177	5	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8750	0.000	1	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9780	0.000	1	107.3101	1.671	38	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5090	0.000	1	107.8180	0.106	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7870	0.000	1	107.8180	0.106	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1580	0.000	1	107.8180	0.106	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6480	0.042	3	107.6480	0.002	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9120	0.000	1	107.9120	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9040	0.000	1	107.9040	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.4720	0.000	1	106.4720	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2240	0.000	1	108.2240	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3000	0.000	1	108.3000	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7723	0.056	3	107.7723	0.003	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1980	0.085	3	108.1980	0.007	3	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0120	0.000	1	108.0120	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	109.2450	0.000	1	109.2450	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.3860	0.000	1	107.5405	0.048	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6950	0.000	1	107.5405	0.048	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6964	0.098	5	105.5717	27.093	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	94.9484	0.000	1	105.5717	27.093	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2{9|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.0810	0.000	1	108.0810	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2327	0.086	4	108.2327	0.007	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9188	0.423	5	107.9270	0.137	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1800	0.000	1	107.9270	0.137	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7150	0.000	1	107.9270	0.137	7	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5690	0.000	1	107.6130	0.002	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6145	0.039	2	107.6130	0.002	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6540	0.000	1	107.6130	0.002	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	106.6435	3.225	2	106.6435	10.401	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7090	0.000	2	107.9930	0.109	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.2300	0.000	1	107.9930	0.109	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.3240	0.000	1	107.9930	0.109	4	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5880	0.000	1	107.5880	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7630	0.000	1	107.7630	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.7948	0.069	5	107.7948	0.005	5	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.4120	0.000	1	108.4120	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.5340	0.380	2	107.5340	0.145	2	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.9154	0.847	5	107.9610	0.586	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1890	0.000	1	107.9610	0.586	6	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.8010	0.000	1	107.8010	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	108.1290	0.000	1	108.1290	0.000	1	107.8505	1.470	2241	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,5|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.9630	0.000	1	107.9630	0.000	1	107.9213	0.017	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	108.0710	0.000	1	108.0710	0.000	1	107.9213	0.017	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.7590	0.000	1	107.7590	0.000	1	107.9213	0.017	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8920	0.000	1	107.8920	0.000	1	107.9213	0.017	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8350	0.000	1	107.8350	0.000	1	107.8214	0.017	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.8920	0.000	1	107.9183	0.004	3	107.8214	0.017	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.9315	0.080	2	107.9183	0.004	3	107.8214	0.017	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	107.7200	0.131	3	107.7200	0.017	3	107.8214	0.017	7	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.3405	0.136	2	107.3405	0.019	2	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7800	0.000	1	107.7800	0.000	1	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.1410	0.115	3	108.1410	0.013	3	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7720	0.000	1	107.7720	0.000	1	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0705	0.105	2	108.0705	0.011	2	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7040	0.000	1	107.7040	0.000	1	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	106.3180	2.420	2	106.8360	3.732	3	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8720	0.000	1	106.8360	3.732	3	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8635	0.013	2	107.8462	0.003	5	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7890	0.000	2	107.8462	0.003	5	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9260	0.000	1	107.8462	0.003	5	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7970	0.000	1	107.7970	0.000	1	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9725	0.090	2	107.9153	0.019	4	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8580	0.192	2	107.9153	0.019	4	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.7390	0.000	1	107.7390	0.000	1	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	109.1580	0.000	1	109.1580	0.000	1	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.8500	0.000	1	107.8582	0.030	4	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.9580	0.000	1	107.8582	0.030	4	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	107.6180	0.000	1	107.8582	0.030	4	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	H(C[6]C[6,6a]N[6]H)	108.0070	0.000	1	107.8582	0.030	4	107.7941	0.476	29	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,1|P<3>,3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	107.5280	0.000	1	107.5280	0.000	1	107.8168	0.110	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<3>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	107.5440	0.000	1	107.6075	0.008	2	107.8168	0.110	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	107.6710	0.000	1	107.6075	0.008	2	107.8168	0.110	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]P[6]H)	H(C[6]C[6,6a]P[6]H)	108.1705	0.110	2	108.1705	0.012	2	107.8168	0.110	5	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]S[6]H)	H(C[6]C[6,6a]S[6]H)	108.1280	0.000	1	108.1280	0.000	1	108.1280	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	108.2040	0.000	1	108.2040	0.000	1	108.1285	0.016	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	108.1390	0.000	1	108.1033	0.020	3	108.1285	0.016	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	108.0855	0.197	2	108.1033	0.020	3	108.1285	0.016	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{2|C<3>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8040	0.000	1	107.8040	0.000	1	107.6725	0.035	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5410	0.000	1	107.5410	0.000	1	107.6725	0.035	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7755	0.226	2	107.7755	0.051	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,5]C[6])(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.060	4	107.8030	0.004	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8150	0.063	3	107.8150	0.004	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1270	0.000	1	108.3020	0.061	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4770	0.000	1	108.3020	0.061	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7675	0.127	2	107.7675	0.016	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0850	0.000	1	109.0850	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2510	0.000	1	106.9829	1.788	11	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3240	0.000	1	106.9829	1.788	11	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1500	0.000	2	106.9829	1.788	11	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7398	2.100	4	106.9829	1.788	11	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9927	1.443	3	106.9829	1.788	11	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1043	0.041	3	108.1043	0.002	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8645	0.112	2	107.8645	0.013	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6980	0.000	1	107.6980	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6800	0.000	1	107.6923	0.022	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6985	0.210	2	107.6923	0.022	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8970	0.000	1	107.8970	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7330	0.000	1	107.7330	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6480	0.000	1	108.6480	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.8330	0.000	1	111.8330	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a])(C[6]C[6]HH)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3642	0.158	6	107.3642	0.025	6	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7850	0.000	1	107.7360	0.005	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7115	0.086	2	107.7360	0.005	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]H)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3530	2.602	3	107.3530	6.769	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2950	0.068	2	107.2950	0.005	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4800	0.000	1	107.9597	0.173	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1995	0.005	2	107.9597	0.173	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5030	0.000	1	107.5030	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0647	0.242	9	108.0647	0.059	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4760	0.515	2	107.5907	0.172	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8200	0.000	1	107.5907	0.172	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.030	2	107.8867	0.057	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6120	0.000	1	107.8867	0.057	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7670	0.000	1	107.7670	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9995	0.206	2	107.9995	0.042	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4045	0.641	6	107.4045	0.411	6	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5320	0.000	1	107.5320	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8995	1.207	4	108.8995	1.456	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0010	0.000	1	108.0010	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5370	0.129	3	107.5370	0.017	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.000	1	108.0610	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3200	0.000	1	108.2959	1.331	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.2020	0.000	1	108.2959	1.331	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2030	0.461	3	108.2959	1.331	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9097	0.971	10	108.2959	1.331	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5070	0.000	1	108.2959	1.331	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2410	0.000	1	108.2410	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6440	0.000	1	107.6440	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.000	1	107.7135	0.122	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4670	0.000	1	107.7135	0.122	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7245	0.062	2	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4125	0.112	10	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0900	0.042	2	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8020	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8390	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3425	0.404	2	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2380	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6940	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9760	0.051	2	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2150	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.000	1	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7564	0.142	8	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8524	0.350	7	107.7249	0.091	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9370	0.000	1	107.9370	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7290	0.000	1	107.7290	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5690	0.000	1	107.5690	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4140	0.000	1	107.4140	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3840	0.000	1	107.3840	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3020	0.000	1	107.1200	1.338	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.000	1	107.1200	1.338	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3980	0.000	1	109.3980	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4410	0.000	1	109.4410	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4384	1.935	8	106.8107	2.739	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5730	0.000	1	106.8107	2.739	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3240	0.000	1	106.8107	2.739	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5325	1.725	4	106.8107	2.739	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4160	1.447	3	106.8107	2.739	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7240	0.000	1	107.6703	0.010	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5530	0.000	1	107.6703	0.010	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7340	0.000	1	107.6703	0.010	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1930	0.098	2	108.1930	0.010	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.000	1	107.9590	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6870	0.000	1	107.8010	0.023	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8580	0.161	2	107.8010	0.023	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8870	0.201	2	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3307	0.632	27	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4990	0.000	1	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9130	0.000	1	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8608	0.162	5	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4465	0.312	2	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8640	0.389	2	107.4510	0.355	40	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4030	0.000	1	107.9752	0.763	12	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.6570	0.000	1	107.9752	0.763	12	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7435	0.095	2	107.9752	0.763	12	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5220	0.130	2	107.9752	0.763	12	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6773	0.133	3	107.9752	0.763	12	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0263	0.107	3	107.9752	0.763	12	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1903	0.366	3	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0060	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5645	0.160	15	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6140	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0580	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.312	4	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6830	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6660	0.334	2	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8900	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1120	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9930	1.144	2	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8535	0.358	6	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6890	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.6475	1.708	2	107.9672	0.623	42	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4170	0.000	1	107.4170	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4820	0.008	2	107.4820	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	97.8008	0.000	1	105.4027	25.838	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4770	0.000	1	105.4027	25.838	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6665	0.158	2	105.4027	25.838	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]P)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	107.8270	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7530	0.000	2	107.7530	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9255	0.158	2	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1620	0.000	1	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9830	0.000	1	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0012	0.137	8	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.117	2	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7790	0.000	1	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6060	0.197	2	107.9215	0.035	17	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6])(C[6]O[6]CC)(H)2{1|B<4>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4805	0.067	2	107.4805	0.005	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9535	0.211	2	107.9535	0.045	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8078	0.303	5	107.8090	0.073	6	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8150	0.000	1	107.8090	0.073	6	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|N<3>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	107.7110	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7250	0.000	1	107.7110	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3800	0.000	1	108.3800	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7500	0.000	1	107.7500	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N)(C[6]O[6]CH)(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4300	0.000	1	107.4300	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3915	2.931	2	107.2774	1.193	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1880	0.000	1	107.2774	1.193	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6635	0.062	2	107.2774	1.193	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4000	0.127	2	107.2774	1.193	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3243	1.031	18	107.2774	1.193	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5553	0.099	3	107.5553	0.010	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7906	0.120	7	107.3771	1.299	30	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.000	1	107.3771	1.299	30	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5630	0.000	1	107.3771	1.299	30	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2096	1.334	21	107.3771	1.299	30	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7835	0.122	2	107.7835	0.015	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6150	0.000	1	107.6150	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6270	0.000	1	107.6270	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.000	1	107.7710	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]CO)(H)2{1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6680	0.000	1	107.6680	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4060	0.000	1	107.8381	0.041	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8540	0.000	1	107.8381	0.041	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.055	2	107.8381	0.041	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9250	0.000	1	107.8381	0.041	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8050	0.000	1	107.8381	0.041	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	107.8381	0.041	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.000	1	108.1370	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]Br)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0890	0.048	2	108.0890	0.002	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8060	0.000	1	107.8883	0.019	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9295	0.166	2	107.8883	0.019	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2264	0.137	7	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7400	0.000	1	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1840	0.000	1	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8857	0.829	10	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9580	0.137	3	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.000	1	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7130	0.000	1	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.000	1	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9087	0.090	4	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0905	0.018	2	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9841	0.109	8	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6790	0.315	2	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1099	0.192	7	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.023	2	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0641	0.136	13	108.1677	0.224	64	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.000	1	107.8230	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6275	0.018	2	107.6275	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0050	0.000	1	108.0050	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7320	0.000	1	107.7320	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7340	0.000	1	106.7715	2.153	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8090	0.000	1	106.7715	2.153	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8220	0.000	1	107.4613	0.591	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3120	0.000	1	107.4613	0.591	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	107.4613	0.591	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7820	0.000	1	107.4613	0.591	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9760	0.108	6	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9390	0.000	1	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7390	0.000	1	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5410	0.000	1	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0507	0.089	3	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8450	0.000	1	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0570	0.059	4	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9585	0.104	8	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4870	0.000	1	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8660	0.051	4	107.9682	0.027	31	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8633	0.210	9	107.8633	0.044	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]C[6]SS)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8268	0.156	4	107.8268	0.024	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2310	0.000	1	108.2310	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.003	2	108.0980	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6090	0.000	1	107.6090	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7910	0.000	1	107.8223	0.057	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8380	0.335	2	107.8223	0.057	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7180	0.000	1	107.8860	0.053	26	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1850	0.000	1	107.8860	0.053	26	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9285	0.188	22	107.8860	0.053	26	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.000	1	107.8860	0.053	26	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9550	0.000	1	107.8860	0.053	26	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7080	0.000	1	107.7080	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0750	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6680	0.525	241	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7190	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9907	0.198	9	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5770	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0580	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6060	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9925	0.059	2	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9417	0.162	3	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CC)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0820	0.000	1	107.6892	0.261	262	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5820	0.000	1	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7973	1.848	3	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9310	0.000	1	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5130	0.000	1	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0420	0.000	1	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1502	0.285	5	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8980	0.000	1	108.1622	0.772	13	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1360	0.000	1	108.1360	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2760	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7555	0.012	2	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8070	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1160	0.126	3	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9325	1.313	72	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7970	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7890	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9862	0.237	14	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1540	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3548	0.454	5	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6915	0.383	2	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0530	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5940	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5700	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1302	0.644	5	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2040	0.000	1	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.159	5	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6265	1.503	4	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1544	0.609	24	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8450	0.311	21	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0153	0.360	7	108.0214	0.880	177	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0810	0.000	1	109.1880	1.270	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7415	1.159	2	109.1880	1.270	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6520	0.000	1	107.4145	0.113	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1770	0.000	1	107.4145	0.113	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2200	0.000	1	104.5390	27.100	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]O)(C[6]O[6]CH)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	100.8580	0.000	1	104.5390	27.100	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9040	0.000	1	107.8647	0.007	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.000	1	107.8647	0.007	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9190	0.000	1	107.8647	0.007	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8333	0.225	3	107.9700	0.122	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0383	0.397	6	107.9700	0.122	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8170	0.089	5	107.8170	0.008	5	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5070	0.000	1	107.5070	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3765	0.142	2	108.3765	0.020	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6600	0.000	1	107.6600	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6])(C[6]S[6]CH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4410	0.000	1	106.4410	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]CC)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5060	0.000	1	107.5060	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7564	0.168	15	107.7564	0.028	15	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6990	0.000	1	107.6990	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4950	0.000	1	109.4950	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6029	0.175	39	107.5833	0.037	41	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CC)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2010	0.093	2	107.5833	0.037	41	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8795	0.052	2	107.6823	0.061	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6034	0.253	5	107.6823	0.061	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	107.9477	0.526	34	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4390	0.000	1	107.9477	0.526	34	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8577	0.134	6	107.9477	0.526	34	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5107	0.462	3	107.9477	0.526	34	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1008	0.897	20	107.9477	0.526	34	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7223	0.180	3	107.9477	0.526	34	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.100	2	107.8537	0.005	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8370	0.000	1	107.8537	0.005	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6690	0.110	2	107.6690	0.012	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.8820	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8051	0.157	7	107.8051	0.025	7	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9580	0.000	1	107.9580	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9240	0.000	1	107.9240	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0385	0.012	2	108.0385	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]O)(C[6]S[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7640	0.000	1	107.7640	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3150	0.000	1	108.4580	0.028	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5295	0.159	2	108.4580	0.028	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.000	1	108.1140	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7230	0.000	1	107.8705	0.044	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0180	0.000	1	107.8705	0.044	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5820	0.000	1	107.6450	0.003	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6765	0.029	2	107.6450	0.003	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0205	0.071	2	107.9053	0.042	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6750	0.000	1	107.9053	0.042	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2904	0.358	5	107.2904	0.128	5	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7110	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.4750	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	100.6390	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4570	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6760	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6116	0.307	5	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8610	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9195	0.042	2	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9410	0.000	1	107.0894	3.404	16	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7270	0.000	1	107.7210	0.004	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.000	1	107.7210	0.004	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6560	0.000	1	107.7210	0.004	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1800	0.000	1	106.7335	16.332	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4345	0.032	2	106.7335	16.332	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	100.8850	0.000	1	106.7335	16.332	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0970	0.000	1	108.0970	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0050	0.000	1	107.9545	0.005	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9040	0.000	1	107.9545	0.005	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6])(C[6]Si[6]SiC)(H)2{1|Si<4>,1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4410	0.000	1	109.4410	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0380	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2860	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0515	0.035	2	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.7470	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3890	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6040	0.000	1	107.5490	1.175	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9640	0.000	1	107.9640	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9050	0.000	1	107.9050	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C)(C[6]O[6]CC)(H)2{1|In<5>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5987	0.108	4	107.5987	0.012	4	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]2H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3150	0.000	2	107.3150	0.000	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3730	0.187	2	107.4321	0.075	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6220	0.000	1	107.4321	0.075	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4305	0.411	4	107.4321	0.075	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3995	0.128	2	107.4321	0.075	9	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1560	0.000	1	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4150	0.000	1	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7533	0.444	7	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3790	0.000	1	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6935	0.029	2	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4442	1.225	4	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3032	0.275	4	107.7300	0.486	20	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4210	0.000	1	107.4210	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]S[6]CH)(H)2{2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5210	0.184	2	107.5210	0.034	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9950	0.000	1	106.9950	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3170	0.031	2	107.3170	0.001	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6692	0.107	5	107.6692	0.011	5	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]O)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4500	0.000	1	107.4500	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.000	1	107.9740	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7588	1.906	5	106.7588	3.633	5	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8950	0.590	2	107.0980	0.298	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5040	0.000	1	107.0980	0.298	3	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5680	0.000	1	107.5885	0.001	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6090	0.000	1	107.5885	0.001	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5320	0.000	1	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5658	1.373	6	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8740	0.040	2	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3687	0.092	3	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5175	0.354	2	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0640	0.000	1	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8554	0.819	10	107.6574	0.700	25	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]C[6]HS)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4080	0.000	1	107.4080	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7040	0.000	1	107.7325	0.002	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7610	0.000	1	107.7325	0.002	2	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]O)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3170	0.000	1	108.3170	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]S)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5800	0.000	1	109.5800	0.000	1	107.7624	0.742	1294	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]N)(S[6]N[6]OO)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0598	0.121	12	108.0598	0.015	12	108.2111	0.494	17	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]O)(S[6]N[6]OO)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.5742	1.305	5	108.5742	1.703	5	108.2111	0.494	17	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	C[6]-3:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](C[6]C[6a]C[6])(Si[6]C[6]SiO)(H)2{1|Si<4>,2|C<4>,3|C<3>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	Ga[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	H(C[6]Ga[6]C[6]H)	H(C[6]Ga[6]C[6]H)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]Ga[6]C[6]H)	H(C[6]Ga[6]C[6]H)	108.0730	0.218	4	108.0730	0.048	4	108.0730	0.048	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[3,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[3,6]C[3,6]C[3])(C[6]O[6]HH)(H)2	H(C[6]N[3,6]C[6]H)	H(C[6]N[3,6]C[6]H)	C[6](N[3,6]C[3,6]C[3])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]N[3,6]C[6]H)	H(C[6]N[3,6]C[6]H)	107.8705	0.039	2	107.8705	0.002	2	107.8705	0.002	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2	H(C[6]N[3x6]C[6]H)	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4,4,6,6]C[3x6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[3x6]C[6]H)	H(C[6]N[3x6]C[6]H)	115.4550	0.000	1	115.4550	0.000	1	109.9057	13.698	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2	H(C[6]N[3x6]C[6]H)	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[3x6]C[6]H)	H(C[6]N[3x6]C[6]H)	107.9000	0.000	1	107.9000	0.000	1	109.9057	13.698	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[3x6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[3x6]C[6]H)	H(C[6]N[3x6]C[6]H)	C[6](N[3x6]C[4x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[3x6]C[6]H)	H(C[6]N[3x6]C[6]H)	108.1340	0.000	2	108.1340	0.000	2	109.9057	13.698	4	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6,6]S[4])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6,6]S[4])(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.2115	0.500	2	107.2115	0.250	2	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6,6a]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	108.4520	0.000	1	108.4520	0.000	1	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	108.2850	0.000	1	108.2850	0.000	1	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]ClH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	108.5230	0.000	1	108.5230	0.000	1	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.8070	0.000	1	108.2978	0.119	4	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]C[4])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	108.4613	0.132	3	108.2978	0.119	4	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]S[4])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]S[4])(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,3|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.8920	0.000	1	107.8920	0.000	1	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]Ga[4,6]C[4])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]Ga[4,6]C[4])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	108.1940	0.000	1	108.1940	0.000	1	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[4,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]Nb[5x3,4,6]Si[4])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]Nb[5x3,4,6]Si[4])(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<4>,2|H<1>,7|C<4>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.4160	0.000	1	107.4160	0.000	1	108.0313	0.286	12	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,5,6]C[6]H)	H(C[6]N[5,5,6]C[6]H)	C[6](N[5,5,6]C[5,5,6,6]2)(C[6]C[5a,6]HH)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]N[5,5,6]C[6]H)	H(C[6]N[5,5,6]C[6]H)	108.4090	0.000	1	108.4090	0.000	1	108.4090	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	108.3550	0.000	1	108.3550	0.000	1	108.1920	0.053	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	108.0290	0.000	1	108.0290	0.000	1	108.1920	0.053	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]N[5,6]H)	H(C[6]C[3,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[3,6]C[3,6]O[3]H)(H)2{3|C<4>,4|H<1>}	H(C[6]C[3,6]N[5,6]H)	H(C[6]C[3,6]N[5,6]H)	108.1403	0.151	3	108.1403	0.023	3	108.1403	0.023	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	107.5300	0.000	1	107.4790	0.005	2	107.7230	0.181	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	107.4280	0.000	1	107.4790	0.005	2	107.7230	0.181	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,4|C<4>,8|H<1>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	108.2110	0.000	1	108.2110	0.000	1	107.7230	0.181	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	105.0640	0.000	1	105.0640	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1520	0.000	1	108.1520	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2100	0.000	1	108.2100	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4265	0.118	6	108.4265	0.014	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3047	1.205	3	108.3047	1.452	3	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9300	0.000	1	107.9300	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4140	0.000	1	108.4140	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3010	0.000	1	108.3357	0.007	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1710	0.066	2	108.3357	0.007	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3688	0.050	11	108.3357	0.007	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	105.1280	0.000	1	105.1820	0.006	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	105.2360	0.000	1	105.1820	0.006	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2295	0.033	2	108.2295	0.001	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3890	0.000	1	108.3890	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1870	0.000	1	108.1870	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0920	0.041	2	108.0920	0.002	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8040	0.000	1	108.2294	0.054	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2010	0.000	1	108.2294	0.054	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3000	0.105	2	108.2294	0.054	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2220	0.000	1	108.2294	0.054	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1010	0.144	2	108.2294	0.054	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5180	0.072	2	108.2294	0.054	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9810	0.000	1	107.9810	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.4300	0.000	1	107.4300	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4115	0.043	2	108.4115	0.002	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.6267	0.126	3	108.5782	0.020	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4330	0.000	1	108.5782	0.020	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2065	0.029	2	108.2312	0.002	13	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2254	0.050	9	108.2312	0.002	13	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2610	0.000	1	108.2312	0.002	13	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3030	0.000	1	108.2312	0.002	13	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<2>,2|H<1>,3|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0737	0.134	3	108.0550	0.014	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|O<2>,2|H<1>,3|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1760	0.000	1	108.0550	0.014	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,2|H<1>,4|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9665	0.060	2	108.0550	0.014	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7940	0.000	1	107.7940	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.5880	0.000	1	107.5880	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	110.2850	0.000	1	109.1160	2.733	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9470	0.000	1	109.1160	2.733	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5752	0.699	6	108.1712	1.231	15	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2390	0.000	1	108.1712	1.231	15	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0634	1.746	5	108.1712	1.231	15	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.5203	0.377	3	108.1712	1.231	15	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CN)(H)2{4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.4130	0.000	1	107.4130	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.4053	0.524	3	107.4755	0.203	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.6860	0.000	1	107.4755	0.203	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9257	0.143	4	108.0951	0.045	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3290	0.000	1	108.0951	0.045	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2060	0.160	4	108.0951	0.045	9	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.7050	0.136	2	108.7050	0.018	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	109.1800	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7530	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3090	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2420	0.018	2	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	115.3280	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2250	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4370	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0600	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8490	0.000	1	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0932	0.731	8	108.5762	3.145	18	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5900	0.000	1	108.5900	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5640	0.000	1	108.5640	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.6270	0.000	1	108.5295	0.005	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4980	0.000	1	108.5295	0.005	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]N[5,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4965	0.053	2	108.5295	0.005	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1860	0.000	1	108.1860	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2530	0.000	1	108.2530	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	111.6760	0.000	1	111.6760	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3800	0.000	1	108.3153	0.005	3	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2830	0.065	2	108.3153	0.005	3	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1490	0.000	1	108.1490	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2593	0.364	3	108.2335	0.091	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1560	0.000	1	108.2335	0.091	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1870	0.000	1	108.2895	0.021	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3920	0.000	1	108.2895	0.021	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5450	0.000	1	108.5450	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	109.3040	0.000	1	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2560	0.000	1	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0974	0.074	13	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1075	0.023	2	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2800	0.000	1	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0930	0.000	1	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.6287	0.895	3	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0853	0.033	3	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0510	0.000	1	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1430	0.000	1	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9480	0.552	2	108.1947	0.147	29	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1750	0.000	1	108.0730	0.008	3	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0220	0.034	2	108.0730	0.008	3	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2100	0.000	2	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	110.8860	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|S<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.8610	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3055	0.056	2	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7020	0.093	2	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7820	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5810	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1895	0.083	2	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	110.1090	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4350	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9440	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3003	0.072	6	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,6|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.6500	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|Ir<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4900	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8460	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3490	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4081	0.198	9	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|S<3>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4270	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2357	0.064	3	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4820	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2465	0.221	2	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3580	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3020	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1620	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{6|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1960	0.000	1	108.3633	0.287	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5500	0.000	1	108.5500	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2860	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3040	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1640	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3573	0.112	3	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3300	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.0300	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0820	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4485	0.409	2	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3010	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3310	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1430	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2325	0.048	4	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2827	0.083	4	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<6>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5030	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1880	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1535	0.176	2	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0690	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.7440	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.7665	0.817	4	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0600	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3140	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3060	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	110.1390	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1430	0.049	2	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9510	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.8496	1.435	5	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3690	0.000	1	108.3900	0.415	45	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7855	0.117	2	108.6505	2.117	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2750	0.000	1	108.6505	2.117	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	109.3523	1.931	3	108.6505	2.117	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0653	0.105	3	108.1612	0.023	5	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3090	0.000	1	108.1612	0.023	5	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3010	0.000	1	108.1612	0.023	5	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4470	0.000	1	108.4470	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2{1|O<1>,2|C<4>,3|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1310	0.000	1	108.1310	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9145	0.204	2	108.2153	0.027	12	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2875	0.022	2	108.2153	0.027	12	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2724	0.069	8	108.2153	0.027	12	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2890	0.062	2	108.2890	0.004	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4480	0.028	3	108.4480	0.001	3	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1790	0.000	1	108.3521	2.207	8	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	111.8770	0.000	1	108.3521	2.207	8	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	106.9120	0.000	1	108.3521	2.207	8	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8565	0.223	2	108.3521	2.207	8	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9340	0.150	2	108.3521	2.207	8	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2680	0.000	1	108.3521	2.207	8	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3690	0.000	1	108.3690	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7460	0.000	1	107.7460	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5072	0.047	5	108.4796	0.023	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3610	0.000	1	108.4796	0.023	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4914	0.209	7	108.4796	0.023	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3780	0.000	1	108.4796	0.023	14	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2570	0.000	1	108.3740	0.030	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4130	0.188	3	108.3740	0.030	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9740	0.000	1	108.1310	0.049	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2880	0.000	1	108.1310	0.049	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.8220	0.000	1	108.8220	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4610	0.000	1	108.4610	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.6260	0.034	2	108.6260	0.001	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.3730	0.000	1	107.3730	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.5305	0.011	2	108.3780	0.036	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Co<7>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3080	0.000	1	108.3780	0.036	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1430	0.000	1	108.3780	0.036	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	110.2545	0.110	2	110.2545	0.012	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0640	0.000	1	108.0640	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1140	0.000	1	108.1140	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4340	0.000	1	108.4340	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1430	0.000	1	108.2880	0.017	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2270	0.000	1	108.2880	0.017	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3390	0.000	1	108.2880	0.017	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|S<2>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4430	0.000	1	108.2880	0.017	4	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.4960	0.000	1	107.4960	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2710	0.064	3	108.3957	0.199	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9750	0.000	1	108.3957	0.199	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.7930	0.670	2	108.3957	0.199	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.4110	0.033	2	108.4110	0.001	2	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8940	0.152	5	107.8940	0.023	5	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|N<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.6060	0.000	1	107.6060	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1695	0.251	2	108.0532	0.031	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9520	0.000	1	108.0532	0.031	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Cu<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1820	0.000	1	108.0532	0.031	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9230	0.047	2	108.0532	0.031	6	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8020	0.000	1	107.8020	0.000	1	108.2914	0.567	368	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]N[5a,6]C[5,6]H)	H(C[6]N[5a,6]C[5,6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,2|N<2>,3|C<4>}	H(C[6]N[5a,6]C[5,6]H)	H(C[6]N[5a,6]C[5,6]H)	108.6690	0.000	1	108.6690	0.000	1	108.3255	0.236	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]N[5a,6]C[5,6]H)	H(C[6]N[5a,6]C[5,6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5a,6]C[5,6]H)	H(C[6]N[5a,6]C[5,6]H)	107.9820	0.000	1	107.9820	0.000	1	108.3255	0.236	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6]N[5a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.4860	0.170	2	108.4860	0.029	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2967	0.025	3	108.2967	0.001	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	106.5267	2.656	3	107.1494	4.282	5	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3160	0.000	1	107.1494	4.282	5	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.8510	0.000	1	107.1494	4.282	5	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.6140	0.000	1	108.6140	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.7520	0.285	3	107.7520	0.081	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	104.5620	0.000	1	104.5620	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	109.3380	0.000	1	109.3380	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3225	0.005	2	108.4180	0.027	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.6090	0.000	1	108.4180	0.027	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2710	0.000	1	108.2710	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.5480	0.000	1	107.9135	0.074	4	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1670	0.000	1	107.9135	0.074	4	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{1|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0630	0.000	1	107.9135	0.074	4	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.8760	0.000	1	107.9135	0.074	4	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3520	0.000	1	108.2922	0.008	16	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3900	0.000	1	108.2922	0.008	16	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3445	0.088	2	108.2922	0.008	16	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2350	0.000	1	108.2922	0.008	16	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2736	0.092	11	108.2922	0.008	16	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]FH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2060	0.000	1	108.2060	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3565	0.019	2	108.4603	0.340	10	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.5480	0.000	1	108.4603	0.340	10	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2500	0.000	1	108.4603	0.340	10	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.5950	0.833	5	108.4603	0.340	10	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1170	0.000	1	108.4603	0.340	10	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|Cl<1>,1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2700	0.000	1	108.2075	0.008	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1450	0.000	1	108.2075	0.008	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2700	0.000	1	108.2700	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(H)2{4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.5220	0.000	1	108.5220	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	111.4490	0.000	1	111.4490	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.4880	0.000	1	108.4880	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.4870	0.000	1	108.2380	0.048	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0690	0.000	1	108.2380	0.048	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1580	0.000	1	108.2380	0.048	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3350	0.000	1	108.3350	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.4185	0.022	2	108.3970	0.002	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3540	0.000	1	108.3970	0.002	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	112.2730	0.000	1	112.2730	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.4260	0.123	2	108.4260	0.015	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]O[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.5330	0.000	1	108.5330	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	109.9705	0.567	4	109.1720	0.873	8	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3735	0.118	4	109.1720	0.873	8	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0530	0.000	1	108.0530	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.2185	1.361	2	107.8067	0.581	6	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0130	0.000	1	107.8067	0.581	6	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0860	0.000	1	107.8067	0.581	6	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1750	0.000	1	107.8067	0.581	6	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1290	0.000	1	107.8067	0.581	6	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(H)2{1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.0660	0.000	1	108.0660	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2053	0.068	3	108.2053	0.005	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2980	0.000	1	108.2980	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]S[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.9770	0.000	1	107.9770	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2548	0.049	4	108.2548	0.002	4	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]CH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1790	0.000	1	108.1790	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[5a,6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.1046	0.209	7	108.1046	0.043	7	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6a]CH)(H)2{5|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2230	0.000	1	108.2230	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]CH)(H)2{1|S<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3360	0.000	1	108.3360	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2075	0.029	2	108.2075	0.001	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.3650	0.000	1	108.4770	0.025	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.5890	0.000	1	108.4770	0.025	2	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[5a,6]N[5a]H)(H)2{1|O<1>,2|N<3>,4|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	107.9610	0.000	1	107.9610	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	110.7190	0.000	1	110.7190	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2210	0.025	3	108.2210	0.001	3	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[5a,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	108.2690	0.000	1	108.2690	0.000	1	108.3166	0.838	113	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	107.9005	0.040	2	107.9005	0.002	2	108.2457	0.358	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[5,6]C[5]2C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.9360	0.000	1	108.9360	0.000	1	108.2457	0.358	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<2>,1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	110.8580	0.000	1	108.7017	1.458	10	108.7017	1.458	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	110.2380	0.000	1	108.7017	1.458	10	108.7017	1.458	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	110.1600	0.000	1	108.7017	1.458	10	108.7017	1.458	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.0190	0.000	1	108.7017	1.458	10	108.7017	1.458	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9570	0.197	6	108.7017	1.458	10	108.7017	1.458	10	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[5,6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9220	0.000	1	107.9220	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.4720	0.000	1	108.4720	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[3x6])(C[6]C[6]HH)(H)2{1|O<2>,1|O<3>,2|H<1>,3|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2195	0.050	2	108.2195	0.003	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,3|O<2>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2530	0.000	1	108.0550	0.012	11	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0352	0.091	10	108.0550	0.012	11	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,5,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5450	0.000	1	107.5450	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7110	0.000	1	107.8070	0.018	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9030	0.000	1	107.8070	0.018	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2270	0.027	2	108.2270	0.001	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.1501	1.125	14	107.1501	1.266	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6995	0.042	2	107.8323	0.069	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7050	0.000	1	107.8323	0.069	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2250	0.000	1	107.8323	0.069	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7240	0.000	1	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1083	0.282	15	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9530	0.000	1	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0475	0.073	2	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0030	0.182	4	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.6647	0.769	8	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1010	0.000	1	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9555	1.155	4	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8935	0.049	2	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1970	0.023	3	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3100	0.000	1	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1570	0.000	1	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9370	0.000	1	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9058	0.045	5	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0455	0.087	2	108.1383	0.251	51	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2310	0.000	1	108.0493	0.039	3	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0760	0.000	1	108.0493	0.039	3	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[5,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8410	0.000	1	108.0493	0.039	3	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|Cu<6>,1|C<5>,1|H<1>,1|N<4>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1620	0.000	1	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9900	0.000	1	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1680	0.000	1	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1285	0.155	2	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3570	0.137	3	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0280	0.000	1	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6,6]HH)(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7700	0.110	5	108.0376	0.063	14	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	106.8205	0.177	2	106.8205	0.032	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]S[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>,2|O<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3060	0.000	1	108.3060	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]Si[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2020	0.000	1	108.2020	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8600	0.000	1	107.8600	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	110.9600	1.752	2	110.9600	3.070	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8750	0.000	1	107.9138	0.101	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1980	0.000	1	107.9138	0.101	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2690	0.000	1	107.9138	0.101	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6135	0.115	2	107.9138	0.101	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2330	0.000	1	108.2315	0.000	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,3x6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2300	0.000	1	108.2315	0.000	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8990	0.000	1	108.0247	0.021	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9010	0.000	1	108.0247	0.021	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1495	0.033	2	108.0247	0.021	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0710	0.000	1	107.9990	0.010	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9270	0.000	1	107.9990	0.010	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9980	0.000	1	107.9980	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0975	0.047	2	108.0975	0.002	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3420	0.000	1	107.9506	1.340	77	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0120	0.000	1	107.9506	1.340	77	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9391	1.250	66	107.9506	1.340	77	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9848	0.166	9	107.9506	1.340	77	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	110.1570	3.031	2	110.1570	9.185	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1190	0.000	1	108.1730	0.949	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1820	1.067	6	108.1730	0.949	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.4050	0.000	1	108.4050	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1070	0.123	2	108.0377	0.020	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1360	0.000	1	108.0377	0.020	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1110	0.000	2	108.0377	0.020	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8550	0.000	1	108.0377	0.020	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8370	0.000	1	108.0377	0.020	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9620	0.000	1	107.9620	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9660	0.000	1	108.1136	0.055	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3670	0.040	2	108.1136	0.055	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8880	0.000	1	108.1136	0.055	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9800	0.000	1	108.1136	0.055	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0260	0.000	1	108.0260	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]CC)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.1450	0.000	1	107.1450	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3450	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0204	0.089	5	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.4368	1.475	5	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.2200	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2923	0.707	9	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	110.9390	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8490	0.011	3	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0460	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2148	0.227	5	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0370	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8943	0.166	11	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8423	0.068	4	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.4350	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5a,6]HH)(H)2{5|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7450	0.000	1	108.0308	0.535	49	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2920	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	109.5753	1.939	7	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3090	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1770	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1964	0.123	12	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9130	0.223	3	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.4086	0.184	14	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.8226	1.084	52	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9970	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3780	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3157	0.375	8	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3020	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7800	0.000	1	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2315	0.035	2	108.6271	0.958	105	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8510	0.000	1	108.0233	0.012	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9920	0.098	2	108.0233	0.012	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1017	0.028	3	108.0233	0.012	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9187	0.319	3	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7970	0.000	1	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8970	0.000	1	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|N<4>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1100	0.000	1	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8550	0.000	2	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8895	0.243	4	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7497	0.076	3	107.8718	0.036	15	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1280	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1800	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2010	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1855	0.128	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9973	0.019	3	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1680	0.520	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9600	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8515	5.576	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1792	0.079	13	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	109.0860	0.597	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9570	0.272	4	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0392	0.238	15	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3475	0.002	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	109.4630	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.5770	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1380	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.4560	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0295	0.252	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9515	0.021	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9520	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7616	1.166	119	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ce<13>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2490	0.052	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9830	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Mn<9>,1|C<4>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2650	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	105.7430	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3170	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9980	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7640	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8598	0.173	5	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0140	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9920	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9297	0.540	3	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6933	0.065	3	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3078	1.617	5	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0120	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Sm<14>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6945	0.517	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|Ta<7>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1710	0.341	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<14>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1877	0.522	11	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|U<15>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.5510	4.790	4	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7410	0.000	1	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0150	0.118	3	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5693	1.562	14	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9865	0.016	2	107.8999	1.361	243	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8240	0.000	1	107.8240	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	110.5550	0.366	2	109.1467	2.698	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7385	0.168	2	109.1467	2.698	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1920	0.000	1	108.1920	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1160	0.148	2	108.0336	6.987	26	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0267	2.756	24	108.0336	6.987	26	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5170	0.000	1	108.8590	3.602	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	110.2010	0.000	1	108.8590	3.602	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2510	0.000	1	108.2510	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8340	0.204	2	107.4633	0.300	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{1|N<3>,1|O<2>,2|O<1>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	106.8870	0.000	1	107.4633	0.300	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|N<3>,2|O<1>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.3010	0.880	2	107.4633	0.300	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)2{2|O<1>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6230	0.000	1	107.4633	0.300	6	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.4660	0.078	2	108.5399	0.044	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.6432	0.212	4	108.5399	0.044	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2740	0.000	1	108.5399	0.044	7	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]N[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3420	0.017	4	108.3420	0.000	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[5,6]CH)(H)2{1|O<2>,2|O<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1785	0.144	2	108.1785	0.021	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.6010	0.000	1	108.5206	0.526	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.6080	0.990	3	108.5206	0.526	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1780	0.000	1	108.5206	0.526	5	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2420	0.000	1	108.2420	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	110.8380	0.000	1	110.8380	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{2|C<3>,2|N<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	109.3675	0.631	4	109.3675	0.398	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0330	0.000	1	107.9775	0.006	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9220	0.000	1	107.9775	0.006	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9370	1.465	5	108.0207	1.726	13	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1559	1.396	7	108.0207	1.726	13	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.4930	0.000	1	108.0207	1.726	13	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8240	0.000	1	107.8240	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0290	0.000	1	108.2189	0.280	8	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1680	0.000	1	108.2189	0.280	8	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8630	0.000	1	108.2189	0.280	8	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1910	0.000	1	108.2189	0.280	8	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.5665	1.244	2	108.2189	0.280	8	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1835	0.073	2	108.2189	0.280	8	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9475	0.006	2	107.9475	0.000	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.5400	0.000	1	108.5400	0.000	1	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1070	0.205	3	108.1070	0.042	3	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]CC)(H)2{1|Cl<1>,1|C<3>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7600	0.423	2	107.7600	0.179	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9825	0.084	2	107.9825	0.007	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8392	0.122	4	107.8392	0.015	4	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]In[3x6]P[6])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7800	0.115	2	107.7800	0.013	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1760	0.069	6	109.0681	4.222	10	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|P<4>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	112.6940	2.254	2	109.0681	4.222	10	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]C[6])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1185	0.142	2	109.0681	4.222	10	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]N[6,6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.6795	1.476	2	108.6795	2.178	2	108.1014	1.283	766	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]NiC)(H)2{1|N<4>,1|P<4>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.5720	0.000	1	107.5720	0.000	1	107.5680	0.005	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]RhC)(H)2{1|N<3>,1|P<4>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.5345	0.036	2	107.5345	0.001	2	107.5680	0.005	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6]ZnC)(H)2{1|N<4>,1|P<4>,6|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.5890	0.098	3	107.5890	0.010	3	107.5680	0.005	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2	H(C[6]N[6,6]P[6]H)	H(C[6]N[6,6]P[6]H)	C[6](N[6,6]C[6,6]C[6])(P[6]C[6]RhC)(H)2{1|N<3>,1|N<4>,6|H<1>}	H(C[6]N[6,6]P[6]H)	H(C[6]N[6,6]P[6]H)	108.1025	0.030	2	108.1025	0.001	2	107.8826	0.024	11	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2	H(C[6]N[6,6]P[6]H)	H(C[6]N[6,6]P[6]H)	C[6](N[6,6]C[6,6]C[6])(P[6]C[6a]C[6]Fe)(H)2{1|N<3>,1|P<4>,2|C<3>,6|H<1>}	H(C[6]N[6,6]P[6]H)	H(C[6]N[6,6]P[6]H)	107.8338	0.122	9	107.8338	0.015	9	107.8826	0.024	11	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6]-3:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2	H(C[6]N[6,6]Si[6]H)	H(C[6]N[6,6]Si[6]H)	C[6](N[6,6]C[6,6]C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,2|H<1>,3|C<4>}	H(C[6]N[6,6]Si[6]H)	H(C[6]N[6,6]Si[6]H)	110.2795	2.965	2	110.2795	8.791	2	110.2795	8.791	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6]N[6,6a]C[6,6]H)	H(C[6]N[6,6a]C[6,6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6a]C[6,6]H)	H(C[6]N[6,6a]C[6,6]H)	107.5650	0.000	1	107.5222	0.001	4	107.6183	0.535	19	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	H(C[6]N[6,6a]C[6,6]H)	H(C[6]N[6,6a]C[6,6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6a]C[6,6]H)	H(C[6]N[6,6a]C[6,6]H)	107.5080	0.020	3	107.5222	0.001	4	107.6183	0.535	19	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]N[6,6a]C[6,6]H)	H(C[6]N[6,6a]C[6,6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]N[6,6a]C[6,6]H)	H(C[6]N[6,6a]C[6,6]H)	107.6439	0.827	15	107.6439	0.684	15	107.6183	0.535	19	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.8410	0.055	2	107.8410	0.003	2	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.0295	0.051	4	108.0295	0.003	4	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.9892	0.119	5	107.9892	0.014	5	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.1310	0.000	1	108.4331	1.839	8	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.4763	1.459	7	108.4331	1.839	8	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.4560	0.051	2	107.6377	0.051	4	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.8195	0.134	2	107.6377	0.051	4	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.6987	0.132	3	107.8107	0.074	6	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.5210	0.000	1	107.8107	0.074	6	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.1235	0.134	2	107.8107	0.074	6	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	107.2490	0.000	1	107.2490	0.000	1	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|N<2>,1|O<1>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.3728	0.164	6	108.3728	0.027	6	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.2590	0.000	1	108.2590	0.000	1	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]N[6,6a]C[6]H)	H(C[6]N[6,6a]C[6]H)	108.1240	0.000	1	108.1240	0.000	1	108.0657	0.465	38	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5302	0.057	4	107.5302	0.003	4	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5250	0.000	1	107.5250	0.000	1	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9200	0.000	1	107.9200	0.000	1	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8080	0.000	1	107.9450	0.038	2	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0820	0.000	1	107.9450	0.038	2	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7585	0.299	2	107.7585	0.089	2	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6,6]C[6]3)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0297	0.081	3	108.0297	0.007	3	107.7740	0.060	13	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6090	0.000	1	107.7005	0.017	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[5a]Ge[6])(C[6]C[6]HH)(H)2{2|H<1>,3|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7920	0.000	1	107.7005	0.017	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9670	0.000	1	107.9670	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2433	0.039	4	108.0773	0.025	22	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,2|N<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8580	0.000	1	108.0773	0.025	22	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0417	0.138	6	108.0773	0.025	22	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]P)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0564	0.161	11	108.0773	0.025	22	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.0690	0.692	3	109.1799	0.240	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6])(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.2630	0.374	4	109.1799	0.240	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2053	0.060	3	108.2053	0.004	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8855	0.074	2	107.8855	0.006	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5305	0.703	4	107.5305	0.494	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1012	0.039	4	108.1110	0.001	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1320	0.000	1	108.1110	0.001	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]C[6]HH)(H)2{1|Sn<5>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1200	0.049	2	108.1110	0.001	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4556	0.108	7	109.3481	0.352	9	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9720	1.544	2	109.3481	0.352	9	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5290	0.027	2	107.5290	0.001	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0653	0.013	3	108.0653	0.000	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[4a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1675	0.069	2	108.1675	0.005	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,5,6]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2290	0.253	2	108.2290	0.064	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2510	0.000	2	108.0467	0.125	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6380	0.000	1	108.0467	0.125	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0087	0.069	4	108.0087	0.005	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7360	0.000	1	107.7360	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8010	0.000	1	107.8010	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]B[5a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.8300	0.000	1	109.8300	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8000	0.000	1	107.8000	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7470	0.000	1	107.7470	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8390	0.000	1	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0765	0.059	2	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9860	0.071	3	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6440	0.000	1	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0050	0.000	1	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.2570	2.865	2	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9090	0.179	4	108.2678	1.362	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2290	0.000	1	108.2290	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0590	0.000	1	108.2325	0.060	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4060	0.000	1	108.2325	0.060	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C)(C[6]N[6]HH)(H)2{1|Fe<8>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9585	0.057	4	107.9585	0.003	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2455	0.216	2	108.2455	0.047	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2290	0.000	1	108.0335	0.076	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8380	0.000	1	108.0335	0.076	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2500	0.000	1	108.2500	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2870	0.000	1	110.1568	17.877	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9235	0.110	2	110.1568	17.877	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	116.4930	0.000	1	110.1568	17.877	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2760	0.000	1	108.2760	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]N)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2395	0.258	2	108.2395	0.067	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9850	0.000	1	107.8682	0.019	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0420	0.000	1	107.8682	0.019	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7713	0.038	3	107.8682	0.019	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]Sb)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]Sb)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0350	0.027	2	108.0350	0.001	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9745	0.202	2	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8695	0.043	2	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1050	0.000	1	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2930	0.000	1	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9670	0.000	1	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1360	0.081	22	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1808	0.051	6	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1130	0.115	4	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0270	0.047	2	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6120	0.000	1	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1490	0.024	2	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2115	0.127	2	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.8650	0.000	1	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Ti<13>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9565	0.100	2	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3380	0.000	1	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0395	0.091	4	108.0786	0.046	54	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1560	0.000	1	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1830	0.071	2	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0740	0.026	3	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2937	0.106	3	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1573	0.065	4	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0913	0.065	3	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1873	0.086	3	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]N[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0936	0.050	5	108.1483	0.008	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2310	0.000	1	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2727	0.085	3	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1900	0.052	2	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2190	0.140	2	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2903	0.042	4	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3885	0.011	2	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	104.0820	0.552	2	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2762	0.083	5	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3193	0.101	6	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1800	0.044	2	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1705	0.145	2	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6])(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2720	0.000	1	108.0075	1.078	32	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7803	0.104	3	107.7803	0.011	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0780	0.000	1	108.0780	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]Co)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]Co)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8110	0.000	1	107.8110	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]D)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.1890	0.000	1	110.1890	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2110	0.000	1	108.2110	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2490	0.000	1	108.2490	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5590	0.000	1	107.6160	0.006	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a,6]S)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6730	0.000	1	107.6160	0.006	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2016	0.581	9	108.1023	0.095	35	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0704	0.125	12	108.1023	0.095	35	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0583	0.116	12	108.1023	0.095	35	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1110	0.266	2	108.1023	0.095	35	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2220	0.000	1	108.2220	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.2417	1.680	6	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4370	0.366	2	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3240	0.000	1	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1165	0.051	6	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2250	0.000	1	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1760	0.013	2	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4582	0.566	4	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1340	0.000	1	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0845	0.109	6	108.8413	1.354	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4038	2.386	12	108.8015	2.598	40	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9157	1.552	13	108.8015	2.598	40	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1617	0.013	3	108.8015	2.598	40	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2440	0.067	7	108.8015	2.598	40	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2105	0.229	4	108.8015	2.598	40	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2730	0.000	1	108.8015	2.598	40	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9740	0.110	2	107.9783	0.004	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9825	0.009	2	107.9783	0.004	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Al)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Al)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2545	0.022	2	108.2545	0.000	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0857	0.078	3	107.1926	7.907	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.8530	5.063	2	107.1926	7.907	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9520	0.000	1	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0203	0.056	3	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7600	1.093	4	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2360	0.064	4	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5690	0.000	1	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6450	0.000	1	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0190	0.000	1	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6313	2.483	3	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7223	0.393	3	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9099	0.215	7	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3179	0.868	17	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9100	0.000	1	107.9777	0.821	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0510	0.214	2	108.0737	0.024	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1190	0.000	1	108.0737	0.024	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2320	0.000	1	108.1724	0.028	11	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2679	0.063	7	108.1724	0.028	11	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9297	0.071	3	108.1724	0.028	11	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6])(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2431	0.074	7	108.2431	0.006	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0390	0.447	3	108.1655	0.101	6	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3075	0.093	2	108.1655	0.101	6	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2610	0.000	1	108.1655	0.101	6	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Ce)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ce)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8120	0.013	2	107.8120	0.000	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8475	0.059	2	106.3867	12.929	8	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.8998	4.118	6	106.3867	12.929	8	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2220	0.064	2	108.2220	0.004	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]CC)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9200	0.000	1	107.9200	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.3167	2.521	3	108.4829	2.144	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2994	0.152	8	108.4829	2.144	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4060	0.000	2	108.4829	2.144	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4330	0.000	1	108.4829	2.144	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2513	1.394	30	108.4829	2.144	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0420	0.075	2	108.4829	2.144	46	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Ir)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1600	0.000	1	108.1600	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Li)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Li)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4980	0.000	1	107.4980	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Mn)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mn)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8540	0.000	1	107.8540	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Mo)(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mo)(C[6]C[6]CC)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5255	0.086	4	107.5255	0.007	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Mo)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mo)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9790	0.000	1	107.9790	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]P)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9740	0.000	1	107.9740	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0470	0.003	2	108.1729	0.023	9	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2089	0.156	7	108.1729	0.023	9	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Re)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Re)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9663	0.350	4	107.9663	0.122	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8308	0.596	29	107.8308	0.355	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9680	0.000	1	107.9680	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]FH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9070	0.000	1	107.9070	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4750	0.000	1	108.7986	0.757	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9610	0.000	1	108.7986	0.757	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4035	0.197	2	108.7986	0.757	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7500	0.000	1	108.7986	0.757	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]N[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1135	0.131	2	108.1135	0.017	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]S)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.0410	0.000	1	111.0410	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7850	0.000	1	107.7359	0.980	16	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Si)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7327	1.025	15	107.7359	0.980	16	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Sm)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Sm)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5165	0.289	2	107.5165	0.084	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Ta)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Ta)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4385	0.045	2	108.4385	0.002	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]U)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.9078	2.306	13	106.9078	5.319	13	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]W)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]W)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9270	2.649	3	107.9270	7.017	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Zn)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Zn)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9750	0.352	3	107.9750	0.124	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5280	0.000	1	109.5280	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2330	0.000	1	108.0909	0.289	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9770	0.000	1	108.0909	0.289	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7170	0.000	1	108.0909	0.289	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7405	0.016	2	108.0909	0.289	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1412	0.588	23	108.0909	0.289	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9800	0.000	1	108.0909	0.289	29	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2110	0.000	1	108.2110	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.1050	0.000	1	107.1030	0.820	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4357	0.752	3	107.1030	0.820	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.2370	0.000	1	110.2370	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3582	0.150	5	108.3582	0.022	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1925	0.163	2	108.1513	0.018	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0690	0.000	1	108.1513	0.018	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.4830	0.000	1	110.4830	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]C[6a])(C[6]P[6]HH)(H)2{6|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0075	0.086	2	108.0075	0.007	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2520	0.000	1	108.2520	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0565	0.052	2	108.0565	0.003	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3360	0.000	1	108.1717	5.202	15	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2790	0.000	1	108.1717	5.202	15	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9380	0.000	1	108.1717	5.202	15	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8700	0.382	2	108.1717	5.202	15	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1710	0.270	2	108.1717	5.202	15	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2426	3.214	8	108.1717	5.202	15	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HN)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1630	0.000	1	108.1630	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1010	0.000	1	108.1010	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1190	0.000	1	108.1190	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1964	0.314	7	108.1964	0.099	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]H)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.0330	0.000	1	107.0330	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]P)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0420	0.000	1	108.0420	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6645	0.019	2	107.8140	0.067	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1130	0.000	1	107.8140	0.067	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9450	0.186	4	107.9450	0.035	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2080	0.000	1	108.2080	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7100	0.000	1	107.8490	0.039	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]SiH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9880	0.000	1	107.8490	0.039	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9740	0.000	1	107.9740	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8505	0.052	2	107.8505	0.003	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]S)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6410	0.000	1	107.6410	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[4])(C[6]C[6]HH)(H)2{2|Ga<4>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2530	0.000	1	108.2530	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[4])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3325	0.029	2	108.3325	0.001	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3080	0.000	1	108.3080	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1123	0.037	3	108.0861	0.003	16	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1084	0.054	7	108.0861	0.003	16	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]N[6]HH)(H)2{1|Se<1>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0468	0.051	6	108.0861	0.003	16	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2765	0.149	2	108.2768	0.007	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[4])(C[6]O[6]HH)(H)2{1|Cu<4>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2770	0.045	3	108.2768	0.007	5	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9200	0.023	2	107.9200	0.001	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,1|P<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1280	0.153	2	108.1527	0.009	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,1|S<1>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1775	0.035	2	108.1527	0.009	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]P[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6658	1.555	4	106.6658	2.419	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8190	0.000	1	107.9988	0.018	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9740	0.000	1	107.9988	0.018	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0880	0.000	1	107.9988	0.018	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]B[6])(C[6]N[6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1140	0.000	1	107.9988	0.018	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5993	0.577	3	107.5993	0.333	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2790	0.033	2	108.2790	0.001	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5030	0.000	1	107.2600	0.118	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(H)2{1|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.0170	0.000	1	107.2600	0.118	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|Ir<6>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0080	0.000	1	107.9607	0.003	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8950	0.000	1	107.9607	0.003	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9790	0.000	1	107.9607	0.003	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1230	0.000	1	107.9737	0.015	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8990	0.000	1	107.9737	0.015	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0200	0.000	1	107.9737	0.015	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8530	0.000	1	107.9737	0.015	4	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Al<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4834	0.466	10	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1380	0.354	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|B<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7800	0.276	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1317	0.092	8	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3245	0.182	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9600	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0675	0.140	58	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1986	0.076	5	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1540	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1937	0.022	3	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5820	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1437	0.066	8	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0300	0.232	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9960	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9785	0.168	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7490	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6020	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.5588	6.889	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9590	0.038	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0537	0.378	137	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7734	0.401	5	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1538	0.087	24	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9890	0.109	3	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.8840	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.8558	0.997	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2365	0.221	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<3>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.1460	0.605	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ir<6>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2380	0.110	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2095	0.349	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5957	0.690	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2718	0.070	12	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0790	0.000	1	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1740	0.030	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2132	0.080	5	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1833	0.124	9	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Ni<7>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1652	0.110	6	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3835	0.834	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Pd<5>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1683	0.156	3	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Rh<6>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5312	0.835	4	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Sb<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0440	0.199	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2540	0.041	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1119	0.867	7	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6920	0.618	2	108.2102	0.747	363	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HI)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0970	0.000	1	108.0970	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0632	0.068	6	108.0632	0.005	6	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0180	0.000	1	108.0180	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2825	1.232	11	108.1809	1.701	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0949	1.407	13	108.1809	1.701	24	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.4859	6.643	3	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0193	0.032	3	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4125	1.837	4	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8700	1.444	5	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0836	0.096	15	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1440	0.000	1	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1435	0.097	16	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1300	0.085	9	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0570	0.000	1	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3754	1.416	22	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8942	0.200	4	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1565	0.147	27	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2844	0.596	178	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1099	0.432	136	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1562	0.051	18	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1260	0.097	5	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1667	0.181	3	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1170	0.654	148	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1750	0.735	69	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1234	0.043	8	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.0970	0.000	1	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]N[6]HH)(H)2{2|C<4>,2|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1295	0.129	2	108.1589	0.553	678	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3441	0.732	60	108.2625	0.272	251	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2150	0.000	2	108.2625	0.272	251	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3050	0.135	17	108.2625	0.272	251	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0153	0.107	3	108.2625	0.272	251	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2402	0.501	141	108.2625	0.272	251	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2037	0.086	28	108.2625	0.272	251	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9170	0.000	1	107.9170	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9730	0.000	1	107.8589	0.245	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6])(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8501	0.514	13	107.8589	0.245	14	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|Cl<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9555	0.045	2	107.9360	0.002	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]Ge[6])(C[6]N[5,6]HH)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8970	0.000	1	107.9360	0.002	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3230	0.000	1	108.3724	0.009	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3535	0.115	4	108.3724	0.009	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]N[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4350	0.071	2	108.3724	0.009	7	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3980	0.000	1	108.3980	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>,3|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8350	0.000	1	107.8350	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]N[5a,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8170	0.000	1	107.8170	0.000	1	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]N[5a]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5547	0.045	3	108.5547	0.002	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]N[6a]C[6])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4725	2.075	2	107.4725	4.307	2	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8635	0.456	30	107.8633	0.166	38	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0280	0.000	1	107.8633	0.166	38	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,3|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8386	0.097	7	107.8633	0.166	38	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3440	3.645	13	107.8065	5.074	34	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0927	0.421	21	107.8065	5.074	34	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1517	0.095	3	108.1517	0.009	3	108.1611	0.855	2162	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	N[6]-3:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]H)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.4350	0.000	1	108.4350	0.000	1	108.4350	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	O[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2	H(C[6]O[6,6]C[6]H)	H(C[6]O[6,6]C[6]H)	C[6](O[6,6]C[6,6]N[6,6])(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]O[6,6]C[6]H)	H(C[6]O[6,6]C[6]H)	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	O[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](O[6]P[6,6]P[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3340	0.000	1	108.3340	0.000	1	108.3340	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	P[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6])(C[6]B[6]HH)(H)2{2|O<2>,4|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.6500	0.000	1	108.6500	0.000	1	109.5163	1.383	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	P[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6])(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	109.9495	1.281	2	109.9495	1.640	2	109.5163	1.383	3	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[5,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[5,6]C[5,6]C[5])(C[6]S[6]HH)(H)2	H(C[6]S[5,6]C[6]H)	H(C[6]S[5,6]C[6]H)	C[6](S[5,6]C[5,6]C[5])(C[6]S[6]HH)(H)2{1|S<2>,2|C<4>,3|H<1>}	H(C[6]S[5,6]C[6]H)	H(C[6]S[5,6]C[6]H)	108.0560	0.000	1	108.0560	0.000	1	108.0560	0.000	1	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2{1|Mo<9>,1|C<4>,1|C<6>,2|H<1>,3|B<6>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2200	0.167	2	108.1983	0.015	3	108.8990	1.424	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]B[3x3,3x5,12x6]C[6])(C[6]S[6]HH)(H)2{1|Mo<9>,1|C<4>,2|H<1>,4|B<6>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1550	0.000	1	108.1983	0.015	3	108.8990	1.424	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|B<6>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	110.0590	2.287	2	110.0590	5.229	2	108.8990	1.424	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|B<6>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2800	0.000	1	108.2800	0.000	1	108.8990	1.424	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6]Cu)(C[6]S[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6]Cu)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2990	0.000	1	109.2990	0.000	1	108.8990	1.424	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	S[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6])(C[6]O[6]CH)(H)2{3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.9000	0.000	1	108.9000	0.000	1	108.8990	1.424	8	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	Se[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Se[6,6]Ga[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]Se[6,6]C[6]H)	H(C[6]Se[6,6]C[6]H)	C[6](Se[6,6]Ga[4x6]C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,3|Se<3>,1|C<4>,4|H<1>}	H(C[6]Se[6,6]C[6]H)	H(C[6]Se[6,6]C[6]H)	107.7047	0.255	4	107.7047	0.065	4	107.6765	0.044	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	Se[6,6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Se[6,6]In[4x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]Se[6,6]C[6]H)	H(C[6]Se[6,6]C[6]H)	C[6](Se[6,6]In[4x6]C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,3|Se<3>,1|C<4>,4|H<1>}	H(C[6]Se[6,6]C[6]H)	H(C[6]Se[6,6]C[6]H)	107.6200	0.117	2	107.6200	0.014	2	107.6765	0.044	6	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	3:4:1:1:	4:	4:	Se[6]-3:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	C[6](Se[6]C[6,6a]C)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	107.8880	0.931	2	107.8880	0.866	2	107.8880	0.866	2	107.9844	1.068	9673	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2	H(C[6]C[3,5,6]O[6]H)	H(C[6]C[3,5,6]O[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,5,6]O[6]H)	H(C[6]C[3,5,6]O[6]H)	108.3505	0.059	2	108.3505	0.003	2	108.3505	0.003	2	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,3,6]C[3]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	110.4290	1.983	2	110.4290	3.931	2	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6,6]N[3,6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.6700	0.000	1	107.6700	0.000	1	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.8850	0.000	1	107.8850	0.000	1	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.8260	0.000	1	107.8260	0.000	1	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.7250	0.000	1	107.6310	0.018	2	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[3]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.5370	0.000	1	107.6310	0.018	2	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3,6]C[6a]C[3])(O[6]C[6,6a])(H)2{1|H<1>,6|C<3>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.7110	0.000	1	107.7110	0.000	1	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3]2C[6])(O[6]C[6,6])(H)2{3|O<2>,6|H<1>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	108.1960	0.148	2	108.1960	0.022	2	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(O[6]C[6,6a])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[3]C[6]O[3])(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	108.1210	0.000	1	108.1210	0.000	1	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[4,6]C[3]2)(O[6]C[6])(H)2	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	C[6](C[3,6]C[4,6]C[3]2)(O[6]C[6])(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[3,6]O[6]H)	H(C[6]C[3,6]O[6]H)	107.9120	0.000	1	107.9120	0.000	1	108.3031	1.389	12	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2N[6])(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]2N[6])(O[6]C[6])(H)2{5|C<4>,5|H<1>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	107.8840	0.000	1	107.8840	0.000	1	107.9444	0.222	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	107.4650	0.000	1	107.7743	0.072	3	107.9444	0.222	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	107.9290	0.000	2	107.7743	0.072	3	107.9444	0.222	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	108.0540	0.000	1	108.0540	0.000	1	107.9444	0.222	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	108.8740	0.000	1	108.8740	0.000	1	107.9444	0.222	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	C[6](C[3x6]C[6,6]2C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[3x6]O[6]H)	H(C[6]C[3x6]O[6]H)	107.4760	0.000	1	107.4760	0.000	1	107.9444	0.222	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	H(C[6]C[3x6]S[6]H)	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,2|H<1>,4|O<2>}	H(C[6]C[3x6]S[6]H)	H(C[6]C[3x6]S[6]H)	107.6170	0.000	1	107.8080	0.073	2	106.5875	4.629	4	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2	H(C[6]C[3x6]S[6]H)	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(S[6]C[6])(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[3x6]S[6]H)	H(C[6]C[3x6]S[6]H)	107.9990	0.000	1	107.8080	0.073	2	106.5875	4.629	4	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[3x6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2	H(C[6]C[3x6]S[6]H)	H(C[6]C[3x6]S[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]S[6])(S[6]C[5,6])(H)2{1|C<3>,1|S<2>,3|C<4>,3|H<1>}	H(C[6]C[3x6]S[6]H)	H(C[6]C[3x6]S[6]H)	105.3670	2.803	2	105.3670	7.857	2	106.5875	4.629	4	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	108.3580	0.000	1	108.3580	0.000	1	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	111.0780	0.000	1	108.6454	1.899	5	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	108.2520	0.000	2	108.6454	1.899	5	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	107.9080	0.000	1	108.6454	1.899	5	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	107.7370	0.000	1	108.6454	1.899	5	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]C[4]H)(O[6]N[6])(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	107.9430	0.000	1	107.9430	0.000	1	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4,6]N[4]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	107.8910	0.055	2	107.8910	0.003	2	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	C[6](C[4,6]C[4]2C[6])(O[6]C[6])(H)2{1|Se<2>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[4,6]O[6]H)	H(C[6]C[4,6]O[6]H)	108.6165	0.347	2	108.6165	0.121	2	108.4130	0.884	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	107.8320	0.000	1	107.6260	0.044	3	107.7153	0.038	6	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	107.5230	0.156	2	107.6260	0.044	3	107.7153	0.038	6	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(O[6]O[6])(H)2	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(O[6]O[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	107.9770	0.000	1	107.9770	0.000	1	107.7153	0.038	6	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[4x6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	C[6](C[4x6]C[4x6]C[6,6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[4x6]O[6]H)	H(C[6]C[4x6]O[6]H)	107.7185	0.095	2	107.7185	0.009	2	107.7153	0.038	6	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2	H(C[6]C[5,5,6,6]O[6]H)	H(C[6]C[5,5,6,6]O[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]O[6]H)	H(C[6]C[5,5,6,6]O[6]H)	107.9117	0.063	3	107.9117	0.004	3	107.9101	0.007	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2	H(C[6]C[5,5,6,6]O[6]H)	H(C[6]C[5,5,6,6]O[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(O[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]O[6]H)	H(C[6]C[5,5,6,6]O[6]H)	107.8870	0.124	3	107.8870	0.015	3	107.9101	0.007	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2	H(C[6]C[5,5,6,6]O[6]H)	H(C[6]C[5,5,6,6]O[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(O[6]C[6])(H)2{1|C<3>,1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[5,5,6,6]O[6]H)	H(C[6]C[5,5,6,6]O[6]H)	107.9750	0.000	1	107.9750	0.000	1	107.9101	0.007	7	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	H(C[6]C[5,5,6,6]S[6]H)	H(C[6]C[5,5,6,6]S[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]S[6]H)	H(C[6]C[5,5,6,6]S[6]H)	107.8040	0.000	1	107.8080	0.000	2	107.8080	0.000	2	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2	H(C[6]C[5,5,6,6]S[6]H)	H(C[6]C[5,5,6,6]S[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(S[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]S[6]H)	H(C[6]C[5,5,6,6]S[6]H)	107.8120	0.000	1	107.8080	0.000	2	107.8080	0.000	2	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2	H(C[6]C[5,5,6]O[6]H)	H(C[6]C[5,5,6]O[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,5,6]O[6]H)	H(C[6]C[5,5,6]O[6]H)	107.6660	0.000	1	107.6660	0.000	1	109.1587	5.513	3	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2	H(C[6]C[5,5,6]O[6]H)	H(C[6]C[5,5,6]O[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5,5,6]O[6]H)	H(C[6]C[5,5,6]O[6]H)	107.9450	0.000	1	107.9450	0.000	1	109.1587	5.513	3	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2	H(C[6]C[5,5,6]O[6]H)	H(C[6]C[5,5,6]O[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]O[6]H)	H(C[6]C[5,5,6]O[6]H)	111.8650	0.000	1	111.8650	0.000	1	109.1587	5.513	3	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.8490	0.000	1	107.8490	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(O[6]S[6])(H)2{1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	108.1120	0.000	1	108.1120	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,3x6]C[5,5,6]H)(O[6]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.7870	0.000	1	107.7870	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[3,6]C[5,6])(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.5793	0.016	3	107.5793	0.000	3	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|O<1>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.9630	0.000	1	107.6224	0.048	5	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.4830	0.000	1	107.6224	0.048	5	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.6730	0.000	1	107.6224	0.048	5	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.6060	0.000	1	107.6224	0.048	5	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.3870	0.000	1	107.6224	0.048	5	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.8855	0.013	2	107.8855	0.000	2	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(O[6]C[5,6])(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	110.0650	2.717	2	110.0650	7.380	2	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(O[6]C[6,6a])(H)2{1|O<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.8090	0.000	1	107.8090	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.3160	0.000	1	107.3160	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.9190	0.000	1	107.9190	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6]2C[6,6])(O[6]C[6])(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.2520	0.000	1	107.2520	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[5,6]3)(O[6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.2820	0.000	1	107.2820	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[6,6,6a]C[5,6]2)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	109.9680	4.236	2	109.9680	17.940	2	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[6,6,6a]C[5,6a]C[5,6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	107.4860	0.037	2	107.4860	0.001	2	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(O[6]C[6])(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	108.0650	0.000	1	108.0650	0.000	1	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	C[6](C[5,6,6]N[5,5,6]C[5,6]C[6])(O[6]C[6])(H)2{2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]O[6]H)	H(C[6]C[5,6,6]O[6]H)	108.0125	0.165	2	108.0125	0.027	2	108.0398	1.740	27	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.7560	0.000	1	107.7560	0.000	1	107.8072	0.041	4	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9655	0.033	2	107.9655	0.001	2	107.8072	0.041	4	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.5420	0.000	1	107.5420	0.000	1	107.8072	0.041	4	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5,6]O[5]H)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.4480	0.000	1	108.4480	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]C[5,6]H)(O[6]C[6,6a])(H)2{3|C<3>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.4505	0.047	2	109.4505	0.002	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3,5]O[5,6]H)(O[6]C[6])(H)2{1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	110.0578	2.429	5	110.0578	5.902	5	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[3x5]C[5,6]C)(O[6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.1370	0.000	1	109.1370	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]C)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.5060	0.000	1	107.5060	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[3,5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8903	0.099	4	107.8903	0.010	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9630	0.000	1	107.9630	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.5080	0.000	1	107.6533	1.106	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9730	0.000	1	107.6533	1.106	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	106.4790	0.000	1	107.6533	1.106	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.6030	0.000	1	107.7530	0.045	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(O[6]C[5,6])(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9030	0.000	1	107.7530	0.045	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9200	0.000	1	107.9200	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8820	0.094	8	107.8820	0.009	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.3940	0.000	1	108.3940	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9935	0.127	2	107.9753	0.009	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9390	0.000	1	107.9753	0.009	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0580	0.000	1	108.0580	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8973	0.089	12	107.9624	0.017	26	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1052	0.172	5	107.9624	0.017	26	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9699	0.088	9	107.9624	0.017	26	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9320	0.000	1	107.7053	0.080	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7960	0.000	1	107.7053	0.080	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8000	0.000	1	107.7053	0.080	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.2930	0.000	1	107.7053	0.080	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8497	0.041	3	107.8497	0.002	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0550	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	111.7030	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7297	0.268	4	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.3770	1.057	7	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.4720	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9930	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0800	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9830	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9065	0.042	2	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9020	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0060	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1120	0.000	1	108.3035	1.053	22	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.5860	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9230	0.075	4	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7750	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0963	0.193	3	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.2140	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7280	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8150	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.6540	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.3110	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1890	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.6650	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8395	0.095	2	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1507	0.210	11	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8720	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7730	0.000	1	108.0613	0.142	31	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]H)(O[6]N[6])(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0200	0.000	1	108.0200	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9613	0.149	4	107.9613	0.022	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[5]O)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9990	0.000	1	107.9990	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(O[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8460	0.000	1	107.8460	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7980	0.000	1	107.7980	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.5880	0.000	1	108.5880	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9880	0.000	1	108.3006	0.132	12	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<4>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0890	0.000	1	108.3006	0.132	12	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|S<4>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9640	0.030	2	108.3006	0.132	12	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.6398	0.073	6	108.3006	0.132	12	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]N[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8815	0.097	2	108.3006	0.132	12	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	111.3025	0.643	2	109.7453	2.342	6	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.4013	0.305	3	109.7453	2.342	6	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]C)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	110.6630	0.000	1	109.7453	2.342	6	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]B[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8405	0.011	2	107.8405	0.000	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|B<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1720	0.000	1	107.9679	0.034	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7597	0.063	3	107.9679	0.034	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0730	0.070	4	107.9679	0.034	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0800	0.143	2	107.8312	0.025	10	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7690	0.087	8	107.8312	0.025	10	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	110.1840	0.000	1	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.7137	0.716	3	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.8344	1.582	5	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.3964	1.205	9	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0110	0.000	1	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9239	0.086	10	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8330	0.000	1	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.7250	0.000	1	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.6367	0.058	3	108.6995	1.434	34	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.8740	8.106	2	109.2432	16.772	5	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]P[6])(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.8227	0.161	3	109.2432	16.772	5	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.4040	0.000	1	108.4040	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]S[5]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9620	0.000	1	107.9620	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(O[6]C[6,6a])(H)2{1|N<3>,5|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9500	0.041	2	107.9500	0.002	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.2525	0.809	6	108.2525	0.655	6	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.1430	0.000	1	109.1430	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9556	0.113	5	107.9556	0.013	5	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6])(H)2{1|O<2>,3|C<3>,7|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1352	0.191	4	108.1352	0.036	4	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]2O[6])(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0370	0.000	1	108.0370	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8670	0.000	1	107.9370	0.010	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]N[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0070	0.000	1	107.9370	0.010	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]O[5])(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8100	0.000	1	107.8100	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5]C[6]O[5])(O[6]Si[6])(H)2{2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.6080	0.000	1	107.6080	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]N[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(O[6]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.1490	0.000	1	108.1490	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[6,6a]C[5]O[5])(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8910	0.131	5	107.8910	0.017	5	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	110.1630	0.000	1	108.9930	2.738	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.8230	0.000	1	108.9930	2.738	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.5100	0.000	1	108.5100	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.2550	0.104	3	108.2550	0.011	3	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9040	0.064	2	108.0364	0.025	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0165	0.074	2	108.0364	0.025	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.3670	0.000	1	108.0364	0.025	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0785	0.083	2	108.0364	0.025	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]C[5]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	107.9260	0.000	1	108.0364	0.025	8	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5,6]O[5]H)(O[6]C[6,6a])(H)2{2|C<3>,2|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	109.4725	0.097	2	109.4725	0.009	2	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]N[5a,6]C[5,5]O[5])(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	110.3400	0.000	1	110.3400	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]O[5,6]C[5]H)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.0520	0.000	1	108.0520	0.000	1	108.2767	1.014	255	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.7325	0.526	4	107.7325	0.277	4	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.7480	0.000	1	108.9443	3.693	3	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	109.5425	2.289	2	108.9443	3.693	3	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5]C)(S[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.5620	0.000	1	107.5620	0.000	1	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6,6a])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.6970	0.000	1	107.6970	0.000	1	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.7990	0.061	2	107.7990	0.004	2	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]N[5]H)(S[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.5530	0.000	1	107.5530	0.000	1	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(S[6]S[6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]O[5]C)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	109.3360	0.000	1	109.3360	0.000	1	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	108.2837	0.309	3	108.2837	0.096	3	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]O[5]H)(S[6]S[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	110.4725	0.805	2	110.4725	0.649	2	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[5,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5]2C[6])(S[6]C[6,6a])(H)2{1|N<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.5480	0.000	1	107.5480	0.000	1	108.3607	1.365	19	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.4290	0.000	1	104.4290	0.000	1	104.4290	0.000	1	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:H[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2	H(C[6]C[6,6]H[6]H)	H(C[6]C[6,6]H[6]H)	C[6](C[6,6]C[3x6]C[6]C)(H[6]C[3x4,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]H[6]H)	H(C[6]C[6,6]H[6]H)	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[3x6])(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1040	0.000	1	108.1040	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7485	0.146	2	107.7485	0.021	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0660	0.000	1	108.0620	0.000	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0580	0.000	1	108.0620	0.000	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.5527	0.312	3	107.5535	0.065	4	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[4x6]C[6]2)(O[6]C[6])(H)2{2|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.5560	0.000	1	107.5535	0.065	4	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6a]O[6])(O[6]C[5,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,3x6]C[6a]O[6])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.5330	0.000	1	107.5330	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[5,6])(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7890	0.000	1	107.7890	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9100	0.047	2	107.9100	0.002	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8810	0.049	3	107.9087	0.005	4	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9920	0.000	1	107.9087	0.005	4	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0280	0.000	1	108.0280	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(O[6]C[6])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	111.0490	0.000	1	111.0490	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[3x6]C)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0720	0.000	1	108.0720	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[3x6]H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1130	0.000	1	108.1130	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8930	0.000	1	107.8930	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[5x6]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0690	0.000	1	108.0690	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6275	0.005	2	108.1809	0.490	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	109.2620	1.772	2	108.1809	0.490	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0380	0.000	1	108.1809	0.490	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6405	0.241	2	108.1809	0.490	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.2154	0.121	7	108.1809	0.490	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2C)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1070	0.000	1	108.1809	0.490	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9540	0.000	1	107.9993	0.002	3	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0520	0.000	1	107.9993	0.002	3	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]2H)(O[6]C[6])(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9920	0.000	1	107.9993	0.002	3	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.5610	0.000	1	107.9343	0.043	6	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1370	0.000	1	107.9343	0.043	6	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9290	0.000	1	107.9343	0.043	6	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9890	0.148	2	107.9343	0.043	6	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]2)(O[6]C[6])(H)2{2|C<3>,2|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0010	0.000	1	107.9343	0.043	6	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7600	0.000	1	108.2823	1.675	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6010	0.000	1	108.2823	1.675	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.3748	1.373	13	108.2823	1.675	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9270	0.000	1	107.7422	0.021	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6750	0.000	1	107.7422	0.021	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6195	0.009	2	107.7422	0.021	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]C)(O[6]C[6])(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8700	0.000	1	107.7422	0.021	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5,6])(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	110.0980	0.000	1	110.0980	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0950	0.000	1	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9660	0.037	2	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7165	0.182	4	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.2680	0.099	2	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9010	0.000	1	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8625	0.255	2	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7120	0.000	1	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9142	0.089	4	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9255	0.206	2	107.8039	0.060	19	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1050	0.000	1	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6450	0.000	1	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0220	0.000	1	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8450	0.082	4	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8240	0.000	1	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8520	0.000	1	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.5350	0.128	3	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9733	0.025	3	107.8235	0.037	15	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0250	0.000	1	107.9080	0.027	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]N)(O[6]C[6,6a])(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7910	0.000	1	107.9080	0.027	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[5,6])(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.6720	0.000	1	107.6720	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]C[6]O)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0840	0.000	1	108.0840	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6,6a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0920	0.000	1	108.0920	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8740	0.000	1	108.1600	0.164	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]C[6])(H)2{1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.4460	0.000	1	108.1600	0.164	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]H)(O[6]N[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	109.3125	0.289	2	109.3125	0.084	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8960	0.000	1	107.8960	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9526	0.161	8	107.9364	0.025	9	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6,6a])(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8070	0.000	1	107.9364	0.025	9	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.3960	0.021	3	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.5351	0.914	60	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.7189	0.494	7	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.3520	0.000	1	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	109.0077	1.376	9	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.6270	0.000	1	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	109.2943	2.429	22	108.7461	1.963	103	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	112.0880	0.000	1	111.1124	2.954	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	110.4810	0.000	1	111.1124	2.954	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]N[6])(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	110.9977	2.283	3	111.1124	2.954	5	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8600	0.000	1	107.8600	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]S[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.2440	0.000	1	108.2440	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	109.4800	0.000	1	108.0540	4.067	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]H)(O[6]Si[6])(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	106.6280	0.000	1	108.0540	4.067	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6]O[6]O)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9650	0.000	1	107.9650	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(O[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8240	0.095	2	107.8240	0.009	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(O[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8510	0.000	1	107.8510	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|C<3>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8323	0.057	4	108.5348	0.763	20	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.9484	0.919	12	108.5348	0.763	20	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]B[6])(H)2{1|Fe<8>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9965	0.028	4	108.5348	0.763	20	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[5,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[5,6])(H)2{2|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0240	0.000	1	108.0240	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2{1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8845	0.104	2	107.9518	0.004	9	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6])(H)2{2|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9710	0.045	7	107.9518	0.004	9	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6,6a])(H)2{2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.9460	0.000	1	107.9460	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0535	0.033	4	108.1387	0.329	44	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<3>,3|O<2>,7|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0516	0.108	28	108.1387	0.329	44	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|C<4>,3|O<2>,7|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0385	0.063	2	108.1387	0.329	44	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	111.8060	0.000	1	108.1387	0.329	44	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{2|C<3>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0607	0.096	7	108.1387	0.329	44	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]C[6])(H)2{2|C<4>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0680	0.028	2	108.1387	0.329	44	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6,6])(H)2{2|N<2>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.6772	1.416	16	108.6772	2.004	16	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|C<4>,1|O<1>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1301	0.835	9	108.1245	0.470	13	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]P[6])(H)2{1|Cl<1>,1|O<1>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.1118	0.150	4	108.1245	0.470	13	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]C[6]3)(O[6]S[6])(H)2{1|O<1>,3|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0811	0.118	8	108.0811	0.014	8	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]C)(O[6]Si[6])(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	111.1195	1.880	2	111.1195	3.535	2	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0190	0.000	1	108.0029	0.183	10	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8205	0.040	2	108.0029	0.183	10	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	109.1450	0.000	1	108.0029	0.183	10	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.2120	0.000	1	108.0029	0.183	10	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7195	0.030	2	108.0029	0.183	10	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]C[6]H)(O[6]C[6])(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.8577	0.042	3	108.0029	0.183	10	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]N[6]H)(O[6]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	108.0840	0.035	4	108.0840	0.001	4	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	C[6](C[6,6]N[6,6]O[6]H)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]O[6]H)	H(C[6]C[6,6]O[6]H)	107.7970	0.000	1	107.7970	0.000	1	108.3573	1.188	366	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[5a,6])(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.3160	0.000	1	107.3160	0.000	1	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.8880	0.000	1	107.8280	0.007	2	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6,6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.7680	0.000	1	107.8280	0.007	2	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.3820	0.119	2	107.4730	0.026	5	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.4320	0.023	2	107.4730	0.026	5	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.7370	0.000	1	107.4730	0.026	5	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(S[6]C[6,6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6]3)(S[6]C[6,6])(H)2{2|C<4>,3|S<2>,6|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.4455	0.077	2	107.4455	0.006	2	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2{1|C<3>,3|S<2>,6|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.5620	0.065	2	107.4460	0.020	4	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6]3)(S[6]C[6])(H)2{1|C<4>,3|S<2>,7|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.3300	0.058	2	107.4460	0.020	4	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6,6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.7623	0.180	3	107.7623	0.033	3	107.5470	0.043	17	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6150	0.000	1	107.7565	0.016	4	107.8179	0.031	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8037	0.101	3	107.7565	0.016	4	107.8179	0.031	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9000	0.000	1	107.9000	0.000	1	107.8179	0.031	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6])(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7270	0.000	1	107.7270	0.000	1	107.8179	0.031	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1780	0.000	1	108.1780	0.000	1	107.8179	0.031	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:C[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]S[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]S[6])(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7120	0.000	1	107.7120	0.000	1	107.8179	0.031	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7363	0.094	3	107.7363	0.009	3	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7360	0.000	1	108.7360	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5600	0.000	1	107.5600	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4790	0.000	1	107.1797	0.165	4	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.0800	0.433	3	107.1797	0.165	4	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4460	0.000	1	107.6147	2.630	3	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|N<3>,1|S<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6990	0.478	2	107.6147	2.630	3	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|S<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8480	0.000	1	108.0630	0.091	4	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1347	0.326	3	108.0630	0.091	4	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3920	0.000	1	107.3920	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7210	0.000	1	107.7985	0.012	2	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8760	0.000	1	107.7985	0.012	2	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1300	0.000	1	107.6436	0.097	5	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7800	0.000	1	107.6436	0.097	5	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5740	0.000	1	107.6436	0.097	5	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9050	0.000	1	107.6436	0.097	5	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8290	0.000	1	107.6436	0.097	5	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7763	0.060	3	107.4595	0.818	12	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.6610	0.653	2	107.4595	0.818	12	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8376	0.364	7	107.4595	0.818	12	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2490	0.010	2	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3380	0.000	1	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2626	0.493	9	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9105	0.175	2	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2525	0.654	2	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1320	0.000	1	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0500	0.000	1	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|S<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2500	0.126	2	108.1103	0.228	20	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0161	0.128	7	108.0626	0.023	16	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0988	0.165	9	108.0626	0.023	16	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.2750	0.000	1	110.2750	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8230	0.000	1	107.8230	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.8880	0.000	1	111.8880	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8010	0.000	1	107.8010	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.3500	0.000	1	105.3500	0.000	1	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1065	0.666	4	107.5401	1.389	14	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1975	0.086	2	107.5401	1.389	14	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7270	0.137	2	107.5401	1.389	14	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3025	1.255	4	107.5401	1.389	14	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.0380	1.858	2	107.5401	1.389	14	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0383	0.103	3	108.0383	0.011	3	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6312	0.504	4	107.6312	0.254	4	107.8427	0.788	98	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8815	0.166	2	107.8815	0.028	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1290	0.000	1	108.1290	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9820	0.000	1	107.9820	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	102.8680	0.000	1	102.8680	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3815	0.070	2	108.0584	0.038	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0055	0.074	2	108.0584	0.038	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9160	0.089	2	108.0584	0.038	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9733	0.058	3	108.0584	0.038	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2420	0.000	1	108.2420	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.5890	1.793	2	110.5890	3.216	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[3x6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7975	0.011	2	107.7975	0.000	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	113.6760	0.000	1	110.9320	15.059	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1880	0.000	1	110.9320	15.059	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4,6]HO)(O[6]C[6])(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.6610	0.000	1	109.6610	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[4x6]CH)(O[6]Si[6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6007	0.054	3	107.6007	0.003	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9940	0.000	1	107.9940	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3830	0.000	1	108.3830	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,5,6]CC)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.6390	0.000	1	110.6390	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0670	0.000	1	109.3080	7.099	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8910	0.000	1	109.3080	7.099	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.6370	3.770	2	109.3080	7.099	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6,6]HO)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1590	0.259	2	108.1590	0.067	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]BrH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	112.4030	0.000	1	112.4030	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8877	0.028	3	107.8877	0.001	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2240	0.000	1	108.0730	0.046	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9220	0.000	1	108.0730	0.046	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]CO)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0170	0.000	1	108.0170	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.8150	0.000	1	108.9025	1.665	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9900	0.000	1	108.9025	1.665	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9810	0.107	2	107.9810	0.012	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4520	0.000	1	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8530	0.000	1	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8320	0.000	1	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9667	0.576	3	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1950	0.000	1	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8747	0.026	3	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0970	0.000	1	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1112	0.699	6	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1315	0.088	2	107.9938	0.204	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HH)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2804	0.079	5	108.2804	0.006	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5,6]HS)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1540	0.000	1	108.1540	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0050	0.000	1	107.9613	0.001	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]H)(O[6]C[6])(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9395	0.011	2	107.9613	0.001	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]C[6]N)(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7330	0.000	1	107.7330	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]H)(O[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1150	0.000	1	108.1150	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1560	0.000	1	108.1560	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5]O[6]O)(O[6]C[6,6a])(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9220	0.000	1	107.9220	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]C[6a]H)(O[6]C[6])(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7830	0.000	1	107.7830	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8900	0.000	1	107.9968	0.013	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9920	0.007	2	107.9968	0.013	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1235	0.029	2	107.9968	0.013	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8600	0.000	1	107.9968	0.013	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a,6]HO)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6700	0.000	1	107.6700	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]N[6]C)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9365	0.001	2	107.9365	0.000	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[5a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2830	0.000	1	108.2830	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6330	0.000	1	107.8633	0.040	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6])(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9785	0.015	2	107.8633	0.040	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.5810	0.000	1	111.5810	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.8020	2.710	2	109.1740	4.854	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]C[6])(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9180	0.000	1	109.1740	4.854	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]CH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.7115	1.135	2	111.7115	1.288	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C[5]H)(O[6]C[6,6])(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6990	0.000	1	107.6990	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6340	0.000	1	107.6340	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8320	0.000	1	108.0657	0.043	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]B[6])(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1825	0.069	2	108.0657	0.043	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	105.8460	0.000	1	106.8540	2.032	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[3x6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8620	0.000	1	106.8540	2.032	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[5,6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8810	0.000	1	107.8810	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1670	0.000	2	108.0645	0.017	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6,6])(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9620	0.088	2	108.0645	0.017	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.4635	1.267	11	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7380	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9570	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7070	0.257	2	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0290	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0228	0.083	4	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.9520	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0570	0.154	4	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0590	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9556	0.148	5	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0130	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9450	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9850	0.041	3	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9995	0.071	2	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9925	0.006	2	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8350	0.000	1	108.1726	0.662	41	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.5140	0.000	1	109.5140	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HO)(O[6]C[5,6,6])(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4620	0.139	2	107.4620	0.019	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8410	0.000	1	107.9210	0.005	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6]HO)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9477	0.057	3	107.9210	0.005	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]CH)(O[6]C[6,6])(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9956	0.130	5	107.9956	0.017	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]C[6a]C)(O[6]C[6])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7795	0.053	2	107.7795	0.003	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0155	0.240	2	108.0155	0.057	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.1840	0.000	1	107.1840	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2240	0.034	2	108.4691	1.023	18	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0800	0.000	1	108.4691	1.023	18	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.4052	1.088	4	108.4691	1.023	18	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1114	0.063	7	108.4691	1.023	18	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.8683	1.795	3	108.4691	1.023	18	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HH)(O[6]C[6])(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9090	0.000	1	108.4691	1.023	18	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6,6a]HO)(O[6]C[6])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.8170	1.536	3	108.8170	2.361	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8765	0.012	2	107.8765	0.000	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7150	0.000	1	107.7150	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9790	0.123	10	107.9708	0.014	11	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8890	0.000	1	107.9708	0.014	11	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrH)(O[6]O[6])(H)2{3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9340	0.000	1	107.9340	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]BrN)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3145	0.043	2	108.3145	0.002	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[5,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8910	0.000	1	107.8910	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6,6])(H)2{2|H<1>,3|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8640	0.000	1	107.8640	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|B<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9625	0.044	6	108.1017	0.612	35	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.5971	1.210	12	108.1017	0.612	35	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7985	0.091	8	108.1017	0.612	35	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Cu<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8533	0.068	4	108.1017	0.612	35	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]B[6])(H)2{1|Pt<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7638	0.033	5	108.1017	0.612	35	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[3,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0002	0.105	4	108.0002	0.011	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8306	0.299	13	108.0565	0.854	24	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3235	1.309	11	108.0565	0.854	24	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9477	0.130	4	107.9146	3.781	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9045	2.244	13	107.9146	3.781	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7990	0.007	2	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0080	0.066	20	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8862	0.087	4	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9982	0.080	17	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.4360	0.000	1	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8120	0.028	2	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6800	0.000	1	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0226	0.025	5	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|Fe<5>,1|H<1>,1|O<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.1320	0.000	1	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.7290	0.000	1	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0690	0.000	1	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.6843	3.024	25	108.2270	2.938	80	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[5,6])(H)2{1|N<3>,2|H<1>,3|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8490	0.180	2	107.8490	0.032	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9831	0.100	8	107.9831	0.010	8	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6725	0.120	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8047	0.071	9	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8900	0.000	1	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8600	0.000	1	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9204	0.113	65	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8150	0.000	1	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<1>,1|S<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8900	0.000	1	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9145	0.110	75	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.8230	0.000	1	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Dy<13>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8793	0.101	6	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Er<13>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0019	0.189	7	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Gd<13>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9494	0.195	8	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Ho<13>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9190	0.123	9	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|La<14>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9010	0.142	7	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|N<3>,1|O<2>,1|S<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9558	0.096	6	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Nd<14>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8846	0.119	8	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.7559	1.563	13	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0000	0.028	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Pr<14>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8848	0.120	9	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|S<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0110	0.458	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9725	0.090	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9820	0.160	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0223	0.032	6	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9145	0.050	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{1|Tb<13>,1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9492	0.238	6	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]P[6])(H)2{2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8995	0.043	2	107.9752	0.225	253	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CC)(O[6]S[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	106.8725	0.224	2	106.8725	0.050	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9185	0.019	2	107.8740	0.009	14	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8666	0.102	12	107.8740	0.009	14	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7750	0.000	1	107.7750	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9370	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.0715	1.941	2	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9710	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9040	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5780	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9815	0.004	2	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9820	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1380	0.116	2	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9750	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.7040	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1220	0.078	4	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0900	0.000	1	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9255	0.046	2	108.2931	0.969	20	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1840	0.000	1	108.0960	0.015	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]N[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0080	0.000	1	108.0960	0.015	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0585	0.030	2	108.0585	0.001	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	115.3240	1.956	2	111.0588	15.755	21	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0445	0.237	2	111.0588	15.755	21	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9140	0.000	1	111.0588	15.755	21	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7410	0.000	1	111.0588	15.755	21	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.1350	0.000	1	111.0588	15.755	21	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CN)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.4076	4.236	14	111.0588	15.755	21	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9270	0.000	1	109.5007	2.509	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]CO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.2875	1.142	2	109.5007	2.509	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]FF)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	113.7200	0.000	1	113.7200	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9317	0.149	3	107.5452	2.354	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	106.7520	3.137	2	107.5452	2.354	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6,6])(H)2{1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9720	0.000	1	107.5452	2.354	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9103	0.067	3	107.9684	0.009	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]B[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]B[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0555	0.030	2	107.9684	0.009	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.9623	5.756	3	109.6377	10.623	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9620	0.000	1	109.6377	10.623	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.2500	0.000	1	109.6377	10.623	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[4,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.4100	1.983	4	109.6377	10.623	9	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.1200	2.650	4	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9230	0.000	1	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7700	0.057	2	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|C<6>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1520	0.000	1	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9660	0.072	3	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1210	0.024	2	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.0123	1.662	3	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|Fe<7>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0070	0.000	1	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9970	0.000	1	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1810	0.000	1	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8626	1.306	10	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.0413	1.775	6	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9717	0.186	3	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[5,6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9340	0.000	1	108.1072	1.853	39	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.6730	4.756	8	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9747	0.108	3	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3332	1.498	17	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9440	0.000	1	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8010	0.000	1	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0550	0.000	1	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9850	0.082	2	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.7990	1.006	2	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.1492	3.471	5	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7940	0.000	1	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1370	0.000	1	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0113	1.769	9	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|H<1>,2|S<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.0635	1.039	2	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0030	0.000	1	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9043	0.186	6	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7985	0.088	2	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6,6])(H)2{2|H<1>,3|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.5920	3.270	2	108.3821	4.829	64	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9620	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1810	0.156	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9360	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1952	0.572	6	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0982	0.324	5	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9146	0.202	13	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0150	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.4390	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9130	0.129	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1655	0.064	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2270	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7740	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1280	0.070	24	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.7310	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9307	0.198	3	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9237	0.008	3	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2817	0.146	3	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0020	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8300	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9869	0.126	15	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1986	0.494	5	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9260	0.183	7	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8160	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0953	0.257	38	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9688	0.069	4	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8164	0.480	7	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0270	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8297	0.433	9	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9260	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.7906	2.493	8	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0190	0.000	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0650	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0960	0.075	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	113.6350	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0715	0.035	4	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1330	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.7467	1.811	3	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0480	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0653	0.073	7	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,1|P<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	103.0630	9.956	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1668	0.323	20	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3001	0.620	8	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6980	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.7060	0.000	1	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9717	0.061	3	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0485	0.035	2	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1619	0.471	31	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.2678	1.134	5	108.1074	1.139	263	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]Ga[6])(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7015	0.037	2	107.7015	0.001	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]N[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2615	0.059	2	108.2615	0.003	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[5,6])(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1120	0.000	1	108.1120	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0966	0.129	25	108.1138	0.016	45	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1615	0.078	12	108.1138	0.016	45	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{1|O<3>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8930	0.000	1	108.1138	0.016	45	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6,6])(H)2{2|H<1>,3|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1251	0.157	7	108.1138	0.016	45	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1940	0.000	1	108.4675	1.057	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2090	0.000	1	108.4675	1.057	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.0260	1.935	2	108.4675	1.057	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]P[6])(H)2{1|Se<2>,1|O<2>,1|S<1>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1618	0.215	15	108.4675	1.057	19	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]S[6])(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2800	0.004	2	108.2800	0.000	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.1133	2.412	3	108.8095	4.247	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8980	0.000	1	108.8095	4.247	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0570	0.000	1	107.7998	0.928	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0424	0.273	7	107.7998	0.928	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	104.8130	0.000	1	107.7998	0.928	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1090	0.000	1	107.7998	0.928	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]C[6])(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1605	0.018	2	107.7998	0.928	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0870	0.000	2	108.0580	0.003	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HN)(O[6]P[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0000	0.000	1	108.0580	0.003	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.9705	0.083	2	108.6140	0.385	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9010	0.000	1	108.6140	0.385	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0175	0.148	2	108.2722	0.808	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.8240	1.455	2	108.2722	0.808	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6780	0.000	1	108.2722	0.808	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0349	0.125	7	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0620	0.000	1	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8720	0.049	2	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.5411	0.809	7	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1910	0.151	2	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2556	0.612	11	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2113	0.091	4	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2620	0.000	1	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9952	0.482	19	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.2937	1.714	16	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.2795	3.735	4	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.8005	0.903	4	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.7495	2.546	6	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9685	0.175	2	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9970	0.000	1	108.6149	2.200	87	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]S[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0100	0.071	2	108.0100	0.005	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HO)(O[6]Si[6])(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8340	0.000	2	107.8340	0.000	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9940	0.000	1	108.0440	0.005	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HP)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0940	0.000	1	108.0440	0.005	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HS)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7760	0.000	1	107.7760	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8740	0.000	1	107.7965	0.012	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]MoH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7190	0.000	1	107.7965	0.012	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.5496	2.811	8	109.2780	6.472	10	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]NO)(O[6]C[6])(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1915	0.033	2	109.2780	6.472	10	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1550	0.040	2	108.0747	0.014	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]OO)(O[6]P[6])(H)2{1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0345	0.129	4	108.0747	0.014	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]2N[6])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8390	0.059	3	107.8390	0.003	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7080	0.000	1	107.7080	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6693	0.145	4	107.7040	0.081	8	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7387	0.406	4	107.7040	0.081	8	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1860	0.044	2	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7320	0.000	1	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0422	0.143	4	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0010	0.000	1	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9650	0.000	1	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9472	0.045	4	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8150	0.229	3	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6])(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8970	0.000	1	107.9629	0.027	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]P[6,6])(H)2{1|O<2>,2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1995	0.006	2	108.1995	0.000	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]O)(O[6]C[6,6a])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9160	0.000	1	107.9160	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]C[6]O)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2820	0.000	1	108.2820	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0490	0.000	1	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9700	0.000	1	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.4205	0.023	2	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9030	0.098	2	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8170	0.000	1	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7940	0.277	2	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{1|S<4>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9600	0.000	1	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8170	0.083	3	108.1140	0.351	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.2190	0.000	1	110.7250	0.512	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]N[6]H)(O[6]P[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.2310	0.000	1	110.7250	0.512	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]C)(O[6]C[6,6])(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0280	0.000	1	108.0280	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6,6a])(H)2{4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9870	0.000	1	107.9870	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1380	0.000	1	108.0400	0.007	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6a]O[6]H)(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9910	0.007	2	108.0400	0.007	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8290	0.000	1	107.8290	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]C[6a]C)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]C[6a]C)(O[6]C[6])(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2040	0.000	1	108.2040	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[3,6]HH)(O[6]C[6])(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2020	0.054	2	108.2020	0.003	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,4,6]HH)(O[6]C[6])(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.4700	0.000	1	109.4700	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.9120	3.723	3	109.9120	13.862	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[4,6]HH)(O[6]C[6])(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9270	0.000	1	107.9270	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9280	0.000	1	107.8470	0.009	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]CH)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8065	0.093	2	107.8470	0.009	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8060	0.000	1	108.3860	0.628	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.5460	0.000	1	108.3860	0.628	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]C[6a]H)(O[6]C[6])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0960	0.184	2	108.3860	0.628	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8940	0.000	1	107.9903	0.015	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9725	0.128	2	107.9903	0.015	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1220	0.000	1	107.9903	0.015	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5,6]HH)(O[6]Ga[6])(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7430	0.000	1	107.7430	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.1045	0.801	2	110.1045	0.642	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]C[6a]H)(O[6]C[6])(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9890	0.000	1	107.9890	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.5600	0.000	1	107.5600	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1230	0.000	1	108.4682	0.978	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9540	0.000	1	108.4682	0.978	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[5a,6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.8980	1.476	2	108.4682	0.978	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1850	0.000	1	108.1850	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0190	0.037	3	108.0190	0.001	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6,6])(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8786	0.116	5	107.8786	0.013	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6697	0.559	3	107.8854	0.082	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9935	0.005	4	107.8854	0.082	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0500	0.000	1	107.8854	0.082	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8980	0.140	4	107.8854	0.082	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6,6a]CH)(O[6]C[6,6a])(H)2{3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2441	0.632	12	108.2441	0.399	12	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7190	0.000	1	109.0595	3.594	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.4000	0.000	1	109.0595	3.594	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CC)(O[6]P[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.1440	0.489	3	109.1440	0.239	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6,6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8980	0.000	1	107.8980	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7665	0.134	2	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8160	0.000	1	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0670	0.000	1	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1785	0.012	2	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7980	0.000	2	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9670	0.000	1	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.7173	3.326	3	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1620	0.000	1	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]CH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9875	0.090	4	108.2706	1.881	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8560	0.000	1	107.9407	0.009	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0470	0.000	1	107.9407	0.009	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6,6])(H)2{1|S<4>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9190	0.000	1	107.9407	0.009	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0190	0.069	8	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0280	0.049	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2843	1.258	629	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1920	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0770	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9648	0.104	15	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1502	0.471	13	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9700	0.059	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2237	1.236	49	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|P<5>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9793	0.031	3	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9480	0.007	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9800	0.076	11	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1930	0.584	3	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9400	0.000	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1318	0.457	24	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3148	1.759	223	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8740	0.157	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9225	0.144	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cd<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9382	0.059	4	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0180	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9595	0.069	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Co<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0253	0.070	3	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9620	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8960	0.070	4	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9758	0.059	20	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2089	0.488	7	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Eu<13>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0375	0.032	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9760	0.014	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Fe<5>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1802	0.412	6	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8740	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	112.2240	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	100.9940	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9403	0.093	6	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ir<8>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9745	0.049	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0130	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9720	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8085	0.091	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8390	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.8040	1.313	4	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0369	0.086	11	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<5>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9740	0.011	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8823	0.221	6	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0697	0.057	4	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0400	0.144	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0537	0.119	6	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1125	0.076	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Pt<6>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.7760	0.419	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<6>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9449	0.107	13	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Ru<9>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.2415	2.669	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Si<4>,1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.0895	0.971	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Te<3>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9510	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|W<9>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9913	0.084	4	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.1003	0.751	4	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9415	0.129	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9480	0.096	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9735	0.057	11	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{1|Zn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9920	0.027	2	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3140	0.000	1	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1811	1.000	354	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3158	1.428	107	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0609	0.896	28	108.2372	1.545	1632	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CC)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0305	0.203	6	108.0305	0.041	6	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9513	0.131	3	107.9513	0.017	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.0260	0.000	1	109.6088	4.401	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0500	0.000	1	109.6088	4.401	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.3895	2.545	2	109.6088	4.401	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]C[6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1890	0.000	1	109.6088	4.401	5	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(O[6]P[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]CH)(O[6]P[6])(H)2{1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0657	0.100	3	108.0657	0.010	3	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1762	0.066	12	108.1657	0.005	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[3x6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0390	0.000	1	108.1657	0.005	13	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8457	2.786	169	107.8525	7.228	183	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2400	0.094	3	107.8525	7.228	183	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1175	0.322	2	107.8525	7.228	183	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.3187	0.685	6	107.8525	7.228	183	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[5,6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.7387	1.414	3	107.8525	7.228	183	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.3850	0.000	1	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1713	0.063	6	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0790	0.000	1	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.7910	0.794	4	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0390	0.000	1	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	111.4105	4.430	2	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6,6])(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1375	0.018	2	108.6936	2.468	17	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0650	0.000	1	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.9010	0.000	1	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>,1|W<6>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.0270	0.000	1	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.6290	0.059	2	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0490	0.000	1	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2752	1.654	935	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9225	0.080	4	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	106.0350	3.272	2	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0497	0.065	3	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9990	0.000	1	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mg<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0388	0.071	9	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{1|Mn<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1910	0.093	2	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.5600	0.000	1	108.2750	2.700	963	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HO)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HO)(O[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8280	0.000	1	107.8280	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8005	0.011	2	107.9255	0.109	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|Cu<5>,1|C<4>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.4150	0.000	1	107.9255	0.109	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]CH)(O[6]C[6])(H)2{1|H<1>,1|N<1>,1|O<1>,2|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.6860	0.000	1	107.9255	0.109	4	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[3,6])(H)2{2|O<1>,3|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2030	0.000	1	108.2030	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[5,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1790	0.000	1	108.1790	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6,6])(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9455	0.084	2	107.9455	0.007	2	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8820	0.066	2	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>,2|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0680	0.000	1	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.9407	0.028	3	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.5593	0.394	4	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.3220	0.099	2	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.7075	0.275	2	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Os<4>,1|Os<5>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.5550	0.143	2	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Pd<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8115	0.066	4	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{1|Ru<6>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8064	0.076	5	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8770	0.038	2	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]C[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]C[6])(H)2{2|Os<3>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	109.4420	0.316	4	108.6084	0.735	31	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(O[6]N[6])(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]S[6]HH)(O[6]N[6])(H)2{1|C<3>,1|O<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0720	0.000	1	108.0720	0.000	1	108.2301	2.097	4299	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[4x6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8670	0.000	1	107.8670	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.4650	0.035	2	109.4650	0.001	2	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[5a,6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8560	0.000	1	107.8560	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9345	0.097	2	107.8000	0.028	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6340	0.000	1	107.8000	0.028	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6970	0.000	1	107.8000	0.028	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HO)(S[6]As[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7170	0.000	1	107.7170	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HO)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7207	0.067	3	107.7207	0.005	3	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5]C[6]H)(S[6]C[6,6a])(H)2{6|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6050	0.000	1	107.6050	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5]C[6]H)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9920	0.000	1	107.9920	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5]S[6]H)(S[6]C[5,6])(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.5270	0.000	1	109.5270	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a,6]HH)(S[6]C[6,6a])(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.2390	0.000	1	107.2390	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5a,6]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7510	0.000	1	107.7510	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]CN)(S[6]C[6,6])(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.4150	0.000	1	107.4150	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6,6a])(H)2{2|C<3>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1280	0.000	1	108.1280	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8887	0.097	3	107.8424	0.010	5	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8170	0.000	1	107.8424	0.010	5	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7290	0.000	1	107.8424	0.010	5	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]HH)(S[6]C[6])(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9870	0.011	2	107.9870	0.000	2	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]2H)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7340	0.000	1	107.7340	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CC)(S[6]C[6])(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7525	0.094	2	107.7525	0.009	2	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	105.1810	0.000	1	107.8748	1.477	10	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.4813	0.986	3	107.8748	1.477	10	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6863	0.034	4	107.8748	1.477	10	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8180	0.000	1	107.8748	1.477	10	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.5600	0.000	1	107.8748	1.477	10	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[4,6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8870	0.000	1	107.8870	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5632	0.048	4	107.4698	5.090	21	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6375	0.059	2	107.4698	5.090	21	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|O<2>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5982	0.070	6	107.4698	5.090	21	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.2483	3.800	8	107.4698	5.090	21	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7630	0.000	1	107.4698	5.090	21	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6930	0.000	1	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.3760	0.000	1	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8510	0.139	3	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|H<1>,1|S<3>,3|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7510	0.057	3	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0900	0.000	1	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5125	1.174	22	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<2>,2|H<1>,2|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8810	2.517	2	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6,6])(H)2{1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8390	0.000	1	107.6129	1.099	34	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<2>,1|S<3>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.8235	1.273	4	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6168	0.105	24	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9620	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0817	0.203	4	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9390	0.232	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1430	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.1800	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.1683	4.429	53	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9369	1.165	35	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	115.0000	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6900	0.051	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	110.5215	0.903	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8280	0.082	7	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8000	0.088	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.3884	1.729	24	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|H<1>,1|S<3>,3|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7770	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8690	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8680	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9795	0.039	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0267	0.079	3	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5308	0.168	10	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|O<3>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7535	0.104	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.4860	0.228	3	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6408	0.942	22	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6860	0.000	1	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|S<3>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2090	0.229	2	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{1|Si<4>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5793	0.157	3	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.3880	1.150	3	108.2874	6.081	217	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|O<1>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6395	2.651	2	106.9305	4.159	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]P[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]P[6])(H)2{1|Se<2>,1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.2215	1.855	2	106.9305	4.159	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(S[6]S[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HN)(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8235	0.013	2	107.8235	0.000	2	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[5,6])(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7696	0.096	5	107.7696	0.009	5	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8680	0.000	1	107.8558	0.007	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7540	0.000	1	107.8558	0.007	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HO)(S[6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9005	0.081	2	107.8558	0.007	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NO)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]NO)(S[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7560	0.000	1	107.7560	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]C[6]H)(S[6]C[6])(H)2{1|C<3>,1|N<2>,1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.4750	0.000	1	109.4750	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]N[6]H)(S[6]C[6,6a])(H)2{5|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8155	0.028	2	107.8155	0.001	2	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]S[6]H)(S[6]C[5,6])(H)2{1|S<2>,3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.8750	0.000	1	106.8750	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[5,6]HO)(S[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7530	0.000	1	107.7530	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[5a]O[6]H)(S[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1262	0.378	4	108.1262	0.143	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6,6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9437	0.077	3	107.9437	0.006	3	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]CH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.3180	0.000	1	108.3180	0.000	1	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7854	0.332	32	107.7913	0.145	52	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9100	0.000	1	107.7913	0.145	52	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8875	0.029	2	107.7913	0.145	52	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9171	0.073	9	107.7913	0.145	52	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7470	0.000	1	107.7913	0.145	52	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6184	0.770	7	107.7913	0.145	52	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]CH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9908	0.436	4	107.9908	0.190	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6])(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2046	0.055	5	108.2046	0.003	5	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]CH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.4325	0.228	11	107.4325	0.052	11	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0377	3.425	652	108.0432	11.085	697	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Cu<4>,1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2480	0.000	1	108.0432	11.085	697	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1212	1.344	42	108.0432	11.085	697	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[5,6])(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5995	0.012	2	108.0432	11.085	697	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7540	0.000	1	108.5712	0.652	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0090	0.000	1	108.5712	0.652	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6,6])(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2610	0.147	2	108.5712	0.652	4	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7193	0.120	4	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8670	0.000	1	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5973	0.263	3	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9710	0.000	1	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.2782	0.957	19	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6030	0.000	1	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>,2|W<6>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.4404	0.384	9	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8164	0.089	7	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.4100	0.000	1	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|Se<2>,1|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.6317	0.335	8	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6])(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6])(H)2{1|U<12>,1|C<4>,1|S<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7155	0.085	6	107.8305	0.826	60	108.0302	7.935	1174	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	107.8235	0.091	2	107.9055	0.012	4	109.0019	0.819	58	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	C[6](C[6]N[6]HH)(Se[6]C[6])(H)2{2|C<4>,2|H<1>}	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	107.9875	0.008	2	107.9055	0.012	4	109.0019	0.819	58	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|C<3>,1|S<2>}	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	109.3115	0.602	48	109.1321	0.745	52	109.0019	0.819	58	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	C[6](C[6]Se[6]HH)(Se[6]C[5,6])(H)2{1|Se<2>,1|C<3>}	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	106.9790	0.548	4	109.1321	0.745	52	109.0019	0.819	58	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	C[6]-4:Se[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	C[6](C[6]Se[6]HH)(Se[6]C[6])(H)2{1|C<3>,1|S<2>}	H(C[6]Se[6]C[6]H)	H(C[6]Se[6]C[6]H)	107.8115	0.378	2	107.8115	0.143	2	109.0019	0.819	58	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	N[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(S[6]C[6])(H)2	H(C[6]N[6]S[6]H)	H(C[6]N[6]S[6]H)	C[6](N[6]C[6]AlC)(S[6]C[6])(H)2{1|S<2>,4|H<1>}	H(C[6]N[6]S[6]H)	H(C[6]N[6]S[6]H)	111.0272	4.097	8	111.0272	16.788	8	111.0272	16.788	8	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(O[6]B[5a,6])(H)2{2|O<2>,6|C<3>}	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	108.3020	0.000	1	108.3020	0.000	1	108.0237	0.034	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6]CS)(O[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	107.9600	0.103	2	107.9600	0.011	2	108.0237	0.034	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]OO)(O[6]C[6])(H)2	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	C[6](P[6]C[6]OO)(O[6]C[6])(H)2{1|P<4>,4|H<1>}	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	107.8957	0.179	4	107.8957	0.032	4	108.0237	0.034	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	P[6]-4:O[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]O[6]OO)(O[6]C[6])(H)2	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	C[6](P[6]O[6]OO)(O[6]C[6])(H)2{1|H<1>,2|C<4>}	H(C[6]O[6]P[6]H)	H(C[6]O[6]P[6]H)	108.1140	0.124	4	108.1140	0.015	4	108.0237	0.034	11	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	P[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2	H(C[6]P[6]S[6]H)	H(C[6]P[6]S[6]H)	C[6](P[6]C[6a]O[6]O)(S[6]C[6])(H)2{1|P<4>,2|C<3>,2|H<1>}	H(C[6]P[6]S[6]H)	H(C[6]P[6]S[6]H)	107.9280	0.560	2	107.9280	0.314	2	107.9280	0.314	2	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:2:1:1:	4:	4:	Si[6]-4:S[6]-2:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]Si2)(S[6]C[6])(H)2	H(C[6]Si[6]S[6]H)	H(C[6]Si[6]S[6]H)	C[6](Si[6]C[6]Si2)(S[6]C[6])(H)2{1|S<2>,4|H<1>}	H(C[6]Si[6]S[6]H)	H(C[6]Si[6]S[6]H)	108.1740	2.564	2	108.1740	6.574	2	108.1740	6.574	2	108.2021	3.059	6404	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[3x6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2	H(C[6]B[3x6]S[6]H)	H(C[6]B[3x6]S[6]H)	C[6](B[3x6]C[6,6]2C[6])(S[6]B[3x6]C)(H)2{1|S<3>,4|H<1>,6|C<4>}	H(C[6]B[3x6]S[6]H)	H(C[6]B[3x6]S[6]H)	106.6680	0.000	1	106.6680	0.000	1	107.1985	0.563	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[3x6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2	H(C[6]B[3x6]S[6]H)	H(C[6]B[3x6]S[6]H)	C[6](B[3x6]C[6,6]2S[6])(S[6]B[3x6]C)(H)2{2|H<1>,8|C<4>}	H(C[6]B[3x6]S[6]H)	H(C[6]B[3x6]S[6]H)	107.7290	0.000	1	107.7290	0.000	1	107.1985	0.563	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[5,6]C[5,6a]2P[6])(C[6]C[6]C)(H)2	H(C[6]B[5,6]C[6]H)	H(C[6]B[5,6]C[6]H)	C[6](B[5,6]C[5,6a]2P[6])(C[6]C[6]C)(H)2{4|C<3>,4|C<4>}	H(C[6]B[5,6]C[6]H)	H(C[6]B[5,6]C[6]H)	106.7150	0.000	1	106.7150	0.000	1	106.7150	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2	H(C[6]B[6,6]C[6]H)	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]B[6,6]C[6]H)	H(C[6]B[6,6]C[6]H)	107.6137	0.068	4	107.6137	0.005	4	107.6137	0.005	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.4920	0.000	1	108.4920	0.000	1	107.7343	0.572	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,7|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.1125	0.057	2	108.1125	0.003	2	107.7343	0.572	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{2|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6825	0.032	2	107.2297	0.616	3	107.7343	0.572	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[6]H)(H)2{4|C<3>,4|C<4>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	106.3240	0.000	1	107.2297	0.616	3	107.7343	0.572	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	B[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2	H(C[6]B[6]S[6]H)	H(C[6]B[6]S[6]H)	C[6](B[6]C[6a]2S[6])(S[6]C[6a]B[6])(H)2{1|C<4>,9|C<3>}	H(C[6]B[6]S[6]H)	H(C[6]B[6]S[6]H)	107.7850	0.130	2	107.7850	0.017	2	107.7850	0.017	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3,4,4x6]C[6,6a]H)	H(C[6]C[3,4,4x6]C[6,6a]H)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	H(C[6]C[3,4,4x6]C[6,6a]H)	H(C[6]C[3,4,4x6]C[6,6a]H)	106.8595	7.420	4	106.8595	55.049	4	106.8595	55.049	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3,5,5,6,6]C[6,6a]H)	H(C[6]C[3,5,5,6,6]C[6,6a]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[3,5,5,6,6]C[6,6a]H)	H(C[6]C[3,5,5,6,6]C[6,6a]H)	107.9165	0.185	2	107.9165	0.034	2	107.9165	0.034	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2	H(C[6]C[3,5,5,6,6]C[6]H)	H(C[6]C[3,5,5,6,6]C[6]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]H)(H)2{1|Sn<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,5,5,6,6]C[6]H)	H(C[6]C[3,5,5,6,6]C[6]H)	108.0905	0.040	2	108.0905	0.002	2	108.0905	0.002	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2	H(C[6]C[3,5,6,6]C[6]H)	H(C[6]C[3,5,6,6]C[6]H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3,5,6,6]C[6]H)	H(C[6]C[3,5,6,6]C[6]H)	107.7310	0.000	1	107.7310	0.000	1	107.7310	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,5,6]C[3,5]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.8890	0.000	1	107.8890	0.000	1	107.9753	0.068	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.8430	0.000	1	107.8245	0.001	2	107.9753	0.068	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.8060	0.000	1	107.8245	0.001	2	107.9753	0.068	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]O)(H)2{4|C<4>,5|H<1>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	108.3630	0.000	1	108.3630	0.000	1	107.9753	0.068	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]H)(H)2{3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.6480	0.000	1	107.6480	0.000	1	106.7050	7.758	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	105.9380	0.000	1	105.9380	0.000	1	106.7050	7.758	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	106.6170	4.667	2	106.6170	21.780	2	106.7050	7.758	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.8190	0.004	2	108.5370	1.547	3	108.1718	1.565	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5])(H)2{2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	109.9730	0.000	1	108.5370	1.547	3	108.1718	1.565	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]O)(C[5,6]C[5,6]2)(H)2{2|Cl<1>,1|H<1>,5|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.0760	0.000	1	107.0760	0.000	1	108.1718	1.565	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.3615	0.052	2	107.3615	0.003	2	108.3378	0.589	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]N[6])(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	108.9287	0.081	6	108.9287	0.007	6	108.3378	0.589	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6])(H)2{1|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.5415	0.026	2	107.5415	0.001	2	108.3378	0.589	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[3,6]H)	H(C[6]C[6,6a]C[3,6]H)	107.5145	0.030	2	107.5145	0.001	2	107.5145	0.001	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	104.1707	14.635	2	104.1707	214.173	2	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]C[3,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	106.4153	0.395	4	106.4153	0.156	4	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.7450	0.000	1	109.7450	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4870	0.105	2	107.4870	0.011	2	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4250	0.000	1	107.4250	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(H)2{1|C<4>,1|W<7>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4460	0.000	1	107.4460	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]N[6])(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1120	0.000	1	108.1120	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6,6]O)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4130	0.000	1	107.4130	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5220	0.115	2	107.5220	0.013	2	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	110.5145	0.118	2	109.4910	3.150	3	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4440	0.000	1	109.4910	3.150	3	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[6a]C[3])(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.0190	0.000	1	107.0190	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7520	0.000	1	107.6270	0.013	3	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5645	0.054	2	107.6270	0.013	3	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6870	0.000	1	107.6870	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6220	0.000	1	107.6220	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	104.8970	0.000	1	104.8970	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5220	0.000	1	107.5220	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9640	0.000	1	107.9640	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]H)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9145	0.021	2	107.9145	0.000	2	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]N)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9904	0.158	5	107.9904	0.025	5	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]O)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7750	0.000	1	107.7750	0.000	1	107.4795	8.065	35	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]C[5a])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	108.0490	0.000	1	108.0490	0.000	1	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(N[6]O[6]C)(H)2{2|C<4>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	108.2840	0.000	1	108.2840	0.000	1	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]2)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	107.7850	0.000	1	107.7850	0.000	1	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	107.9130	0.000	1	107.9130	0.000	1	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	107.5370	0.000	1	107.7695	0.108	2	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(H)2{2|C<3>,4|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	108.0020	0.000	1	107.7695	0.108	2	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	108.1240	0.000	1	107.9373	0.029	4	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	107.8750	0.141	3	107.9373	0.029	4	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	107.6850	0.000	1	108.7437	0.937	3	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	C[6](C[3,6]C[3,6]O[3]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3,6]N[6]H)	H(C[6]C[3,6]N[6]H)	109.2730	0.440	2	108.7437	0.937	3	108.1192	0.317	13	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3x5,6,6]C[6,6a]H)	H(C[6]C[3x5,6,6]C[6,6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[6]C[3x5,6,6]C[6,6a]H)	H(C[6]C[3x5,6,6]C[6,6a]H)	107.6570	0.000	1	107.6570	0.000	1	107.5855	0.010	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3x5,6,6]C[6,6a]H)	H(C[6]C[3x5,6,6]C[6,6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|O<2>,4|C<3>,4|C<4>}	H(C[6]C[3x5,6,6]C[6,6a]H)	H(C[6]C[3x5,6,6]C[6,6a]H)	107.5140	0.000	1	107.5140	0.000	1	107.5855	0.010	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	107.8570	0.000	1	107.8570	0.000	1	107.8565	0.000	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	107.8560	0.000	1	107.8560	0.000	1	107.8565	0.000	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	108.0335	0.030	2	108.0335	0.001	2	107.3272	1.530	5	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	105.1340	0.000	1	106.8563	2.228	3	107.3272	1.530	5	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[3x6]H)	H(C[6]C[6,6a]C[3x6]H)	107.7175	0.076	2	106.8563	2.228	3	107.3272	1.530	5	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2070	0.000	1	108.2070	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]H)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4710	0.044	2	107.4710	0.002	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4540	0.000	1	107.4540	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9110	0.000	1	107.9110	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6850	0.000	1	107.6850	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5925	0.240	2	107.5428	0.146	6	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]O)(H)2{1|S<4>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5180	0.470	4	107.5428	0.146	6	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0160	0.000	1	108.0160	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	106.3700	0.000	1	106.3700	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0428	0.111	6	108.0428	0.012	6	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|Br<1>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0177	0.035	3	106.7812	7.062	5	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8230	0.000	1	106.7812	7.062	5	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	102.0300	0.000	1	106.7812	7.062	5	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7260	0.000	1	110.2590	12.832	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	112.7920	0.000	1	110.2590	12.832	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6250	0.000	1	107.6250	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]N[6,6]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	109.6700	0.000	1	109.6700	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8530	0.000	1	107.8530	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[6,6]C)(C[6]C[6]H)(H)2{1|O<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1570	0.000	1	108.1570	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	109.4380	0.000	1	108.5010	1.756	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5640	0.000	1	108.5010	1.756	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7330	0.000	1	107.8660	0.035	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]O)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9990	0.000	1	107.8660	0.035	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]O[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]O[6]O)(H)2{4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.1300	0.000	1	107.1300	0.000	1	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]O[6]O)(H)2{1|C<3>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4315	0.136	2	107.4315	0.019	2	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7733	0.131	9	107.7324	0.032	10	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.3640	0.000	1	107.7324	0.032	10	107.7891	1.490	48	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[3x6]N[6,6]H)	H(C[6]C[3x6]N[6,6]H)	C[6](C[3x6]C[3x6]C[6]2)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,5|C<4>,8|H<1>}	H(C[6]C[3x6]N[6,6]H)	H(C[6]C[3x6]N[6,6]H)	107.5890	0.000	1	107.5890	0.000	1	107.5890	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[3x6]N[6]H)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6]C)(H)2{5|C<4>,6|H<1>}	H(C[6]C[3x6]N[6]H)	H(C[6]C[3x6]N[6]H)	107.7930	0.000	1	107.7930	0.000	1	108.1710	0.067	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2	H(C[6]C[3x6]N[6]H)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	H(C[6]C[3x6]N[6]H)	H(C[6]C[3x6]N[6]H)	108.2780	0.000	1	108.2780	0.000	1	108.1710	0.067	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[3x6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2	H(C[6]C[3x6]N[6]H)	H(C[6]C[3x6]N[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]N[6]H)	H(C[6]C[3x6]N[6]H)	108.3065	0.095	2	108.3065	0.009	2	108.1710	0.067	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2	H(C[6]C[4,5,6,6]C[6]H)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[5,5,6]C[4,6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4,5,6,6]C[6]H)	H(C[6]C[4,5,6,6]C[6]H)	107.3817	0.207	3	107.3817	0.043	3	107.3817	0.043	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2	H(C[6]C[4,6,6]N[6]H)	H(C[6]C[4,6,6]N[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]C)(N[6]C[6]S)(H)2{3|C<4>,4|H<1>}	H(C[6]C[4,6,6]N[6]H)	H(C[6]C[4,6,6]N[6]H)	107.6800	0.000	1	107.6800	0.000	1	107.6800	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[4,6]H)	H(C[6]C[6,6a]C[4,6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[4,6]H)	H(C[6]C[6,6a]C[4,6]H)	107.4790	0.007	2	107.4790	0.000	2	107.4790	0.000	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.4605	0.664	2	108.4605	0.441	2	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0150	0.000	1	108.0150	0.000	1	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.2240	0.000	1	108.2240	0.000	1	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.8690	0.000	1	108.8690	0.000	1	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]O[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.1315	0.152	2	108.1315	0.023	2	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.6210	0.522	2	107.6210	0.272	2	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]O)(H)2{1|O<2>,1|W<7>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.6660	0.105	2	107.6660	0.011	2	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[6a]C[4])(C[6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.1400	0.000	1	108.1400	0.000	1	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.0550	0.000	1	107.0550	0.000	1	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.2380	0.000	1	108.2380	0.000	1	108.0214	0.268	14	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6,6a]S)(H)2{1|C<4>,4|C<3>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.0752	0.183	4	108.0752	0.033	4	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.2818	0.212	6	108.2637	0.028	10	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.2580	0.000	1	108.2637	0.028	10	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.1170	0.000	1	108.2637	0.028	10	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.2855	0.016	2	108.2637	0.028	10	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.0600	0.000	1	108.1120	0.005	2	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]N[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	108.1640	0.000	1	108.1120	0.005	2	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]C[4]H)(N[6]O[6]C)(H)2{1|H<1>,4|C<4>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	107.8500	0.000	1	107.8500	0.000	1	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	107.8550	0.000	1	107.8550	0.000	1	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	C[6](C[4,6]C[4,6]N[4]H)(N[6]C[6,6a]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[4,6]N[6]H)	H(C[6]C[4,6]N[6]H)	107.8580	0.000	1	107.8580	0.000	1	108.1434	0.043	19	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2	H(C[6]C[5a,6]C[4x6]H)	H(C[6]C[5a,6]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]C[4x6]H)	H(C[6]C[5a,6]C[4x6]H)	107.9002	0.221	4	107.9002	0.049	4	107.9002	0.049	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[4x6]H)	H(C[6]C[6,6a]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[4x6]H)	H(C[6]C[6,6a]C[4x6]H)	104.7610	0.000	1	104.7610	0.000	1	106.3740	5.204	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[4x6]H)	H(C[6]C[6,6a]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[4x6]H)	H(C[6]C[6,6a]C[4x6]H)	107.9870	0.000	1	107.9870	0.000	1	106.3740	5.204	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6150	0.000	1	107.6150	0.000	1	108.1200	0.430	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]O)(H)2{4|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8840	0.000	1	107.8840	0.000	1	108.1200	0.430	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[4x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.8610	0.000	1	108.8610	0.000	1	108.1200	0.430	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5,3x6]C[6,6a]H)	H(C[6]C[5,3x6]C[6,6a]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	H(C[6]C[5,3x6]C[6,6a]H)	H(C[6]C[5,3x6]C[6,6a]H)	108.4355	3.788	6	108.4355	14.347	6	107.4720	13.668	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5,3x6]C[6,6a]H)	H(C[6]C[5,3x6]C[6,6a]H)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	H(C[6]C[5,3x6]C[6,6a]H)	H(C[6]C[5,3x6]C[6,6a]H)	104.5815	1.289	2	104.5815	1.662	2	107.4720	13.668	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.6950	0.000	1	107.8400	0.042	2	107.9970	0.014	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]O)(H)2{5|C<4>,6|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.9850	0.000	1	107.8400	0.042	2	107.9970	0.014	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.0250	0.000	1	108.0250	0.000	1	107.9970	0.014	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[5,5,6]C[6])(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.0518	0.055	6	108.0518	0.003	6	107.9970	0.014	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[5,6]2)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.9540	0.000	1	107.9540	0.000	1	107.9970	0.014	10	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,3x6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2	H(C[6]C[5,5,3x6]C[6]H)	H(C[6]C[5,5,3x6]C[6]H)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,5,3x6]C[6]H)	H(C[6]C[5,5,3x6]C[6]H)	109.6905	0.138	2	109.6905	0.019	2	109.6905	0.019	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.0435	0.036	2	108.0435	0.001	2	107.8930	0.069	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.5920	0.000	1	107.5920	0.000	1	107.8930	0.069	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	107.9510	0.171	2	107.9510	0.029	2	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.1995	0.074	4	108.1775	0.023	12	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.1838	0.268	4	108.1775	0.023	12	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.1492	0.076	4	108.1775	0.023	12	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.1970	0.000	1	108.1893	0.004	4	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.1867	0.074	3	108.1893	0.004	4	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]O[5,5])(N[6]C[6]C)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.1560	0.000	1	108.1560	0.000	1	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,5,6,6]N[6]H)	H(C[6]C[5,5,6,6]N[6]H)	108.7710	0.044	2	108.7710	0.002	2	108.2137	0.054	21	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5])(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	108.5625	0.006	2	108.5625	0.000	2	108.5625	0.000	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2	H(C[6]C[5,5,6]C[5a,6]H)	H(C[6]C[5,5,6]C[5a,6]H)	C[6](C[5,5,6]C[5,5,6,6]N[5,5,6]H)(C[5a,6]C[5a,6a]C[5a,6])(H)2{1|N<3>,3|C<4>,4|C<3>}	H(C[6]C[5,5,6]C[5a,6]H)	H(C[6]C[5,5,6]C[5a,6]H)	108.2260	0.000	1	108.2260	0.000	1	108.2260	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.3920	0.221	2	108.3920	0.049	2	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0670	0.000	1	108.0670	0.000	1	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0570	0.000	1	108.0570	0.000	1	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[3,6]O)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8560	0.000	1	107.8560	0.000	1	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]H)(H)2{1|C<3>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.6740	0.000	1	107.6740	0.000	1	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]O)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8700	0.000	1	107.8700	0.000	1	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.0772	0.068	6	107.0772	0.005	6	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1406	0.194	5	108.1053	0.038	6	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[4x6]O)(H)2{1|H<1>,2|C<3>,3|O<2>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9290	0.000	1	108.1053	0.038	6	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.3110	0.000	1	108.0130	0.071	3	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8640	0.096	2	108.0130	0.071	3	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	111.5199	17.710	2	111.5199	313.656	2	108.1034	14.966	24	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[3x5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	108.5153	0.031	3	108.5153	0.001	3	107.6739	2.070	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,5|C<3>}	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	107.9460	0.000	1	107.9460	0.000	1	107.6739	2.070	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	107.7480	0.546	2	107.7480	0.298	2	107.6739	2.070	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	104.2460	0.000	1	106.2015	7.648	2	107.6739	2.070	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,5,6]N[6]H)	H(C[6]C[5,5,6]N[6]H)	108.1570	0.000	1	106.2015	7.648	2	107.6739	2.070	8	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.7680	0.000	1	107.7680	0.000	1	107.5367	0.041	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.4480	0.000	1	107.4480	0.000	1	107.5367	0.041	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.3940	0.000	1	107.3940	0.000	1	107.5367	0.041	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5,6,6]C[6,6a]H)	H(C[6]C[5,6,6]C[6,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6,6a]H)	H(C[6]C[5,6,6]C[6,6a]H)	107.7320	0.000	1	107.7320	0.000	1	107.7320	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x6]C[5,6]C[5])(C[6]N[5a,6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.1585	0.129	2	107.1585	0.017	2	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.4950	0.000	1	108.4950	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]O[6]O)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	101.3930	0.000	1	101.3930	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.4660	0.393	2	109.4660	0.155	2	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8260	0.000	1	107.8260	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7090	0.000	1	107.7090	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[6,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2950	0.000	1	108.2950	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.5162	1.471	4	108.5162	2.164	4	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]C)(H)2{1|O<2>,2|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2660	0.000	1	108.2660	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.3190	0.000	1	107.2880	0.012	3	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.3790	0.000	1	107.2880	0.012	3	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]O)(H)2{1|Si<4>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.1660	0.000	1	107.2880	0.012	3	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8760	0.000	1	107.8760	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8000	0.000	1	107.8000	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6920	0.000	1	107.6920	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8865	0.049	2	107.8865	0.002	2	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6280	0.000	1	107.6280	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7910	0.000	1	107.7910	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7443	0.426	3	107.7443	0.181	3	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]H)(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8340	0.037	4	107.8340	0.001	4	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7850	0.000	1	107.7850	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)2{4|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9865	0.009	2	107.9865	0.000	2	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8130	0.000	1	107.8130	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]O[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4080	0.000	1	107.4080	0.000	1	107.7575	1.672	36	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6,6]N[6,6]H)	H(C[6]C[5,6,6]N[6,6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]N[6,6]H)	H(C[6]C[5,6,6]N[6,6]H)	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[3x5,6]C[5,6,6]C[6])(N[6]S[6]H)(H)2{2|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	107.9700	0.000	1	107.9700	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	108.2040	0.000	1	108.2040	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]Br)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	107.6910	0.000	1	107.6910	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]O)(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	107.7130	0.000	1	107.7130	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	105.1440	0.000	1	105.1440	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	107.6610	0.000	1	107.6610	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	109.1850	0.000	1	108.7770	0.333	2	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]C)(H)2{1|O<2>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	108.3690	0.000	1	108.7770	0.333	2	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(N[6]C[6]S)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[5,6,6]N[6]H)	H(C[6]C[5,6,6]N[6]H)	102.2580	0.000	1	102.2580	0.000	1	107.1328	4.529	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:B[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2	H(C[6]C[5,6]B[6]H)	H(C[6]C[5,6]B[6]H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]B[6]H)	H(C[6]C[5,6]B[6]H)	107.7555	0.039	2	107.7555	0.002	2	107.7555	0.002	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[4,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[4,6]C[4,6]C[4])(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	110.3490	0.000	1	110.3490	0.000	1	110.3490	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]O[5])(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.5840	0.000	1	108.5840	0.000	1	108.5185	0.009	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.4530	0.000	1	108.4530	0.000	1	108.5185	0.009	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[5a,6]N[5a,6]N[5a])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.1580	0.000	1	108.1580	0.000	1	108.2787	0.036	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5a,6]C[5a,6]O[5a])(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.5680	0.000	1	108.5680	0.000	1	108.2787	0.036	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a,6]N[5a])(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a,6]N[5a])(H)2{1|C<2>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.0820	0.000	1	108.0820	0.000	1	108.2787	0.036	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]C[5a,6]N[5a])(H)2{1|N<3>,1|O<1>,7|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.0910	0.000	1	108.0910	0.000	1	108.2787	0.036	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5a,6]N[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|N<2>,3|C<3>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.2890	0.092	2	108.2890	0.008	2	108.2787	0.036	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[5a,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[5a,6]C[5a,6]2)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[5,6]H)	H(C[6]C[5a,6]C[5,6]H)	108.4740	0.000	1	108.4740	0.000	1	108.2787	0.036	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]C[6])(H)2{1|O<1>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9460	0.000	2	107.9460	0.000	2	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	106.4080	0.000	1	106.4080	0.000	1	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	109.6670	0.000	1	109.6670	0.000	1	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1030	0.000	1	108.3169	0.603	15	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.0920	0.000	1	108.3169	0.603	15	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0590	0.206	2	108.3169	0.603	15	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.4946	0.798	11	108.3169	0.603	15	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0220	0.079	2	108.0220	0.006	2	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2800	0.676	2	108.3428	0.121	5	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.4220	0.071	2	108.3428	0.121	5	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3100	0.000	1	108.3428	0.121	5	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6,6]C[6,6]N[6])(H)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	109.0750	0.000	1	109.0750	0.000	1	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6,6]C[5]2)(C[6,6]N[6,6]C[6])(H)2{1|N<3>,1|O<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.4730	0.000	1	108.4730	0.000	1	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4840	0.000	1	107.4840	0.000	1	108.2590	0.573	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2023	0.061	4	108.2023	0.004	4	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0740	0.000	1	107.9897	0.012	3	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0300	0.000	1	107.9897	0.012	3	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.8650	0.000	1	107.9897	0.012	3	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0480	0.000	1	108.0480	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2930	0.000	1	108.2930	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0790	0.000	1	108.0790	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.5130	0.000	1	107.5130	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9300	0.000	1	107.9350	0.000	2	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9400	0.000	1	107.9350	0.000	2	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|N<3>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9810	0.000	1	107.9810	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2250	0.000	1	108.0855	0.039	2	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	107.9460	0.000	1	108.0855	0.039	2	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0030	0.000	1	108.1067	0.009	3	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.1585	0.043	2	108.1067	0.009	3	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0300	0.000	1	108.0300	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.2430	0.000	1	108.2430	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.3560	0.000	1	108.3560	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	H(C[6]C[6,6a]C[5,6]H)	108.0590	0.000	1	108.0590	0.000	1	108.0757	0.032	23	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0170	0.033	2	108.0170	0.001	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6620	0.000	1	107.6620	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9820	0.000	1	107.9820	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2960	0.000	1	108.2720	0.001	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2480	0.000	1	108.2720	0.001	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]O)(C[6]C[6,6]H)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9780	0.000	1	107.9780	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1900	0.151	2	108.1900	0.023	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2180	0.000	1	108.2180	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]O[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6720	0.000	1	107.6720	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6900	0.000	1	107.6900	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3170	0.000	2	108.3170	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4430	0.006	2	108.4430	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0420	0.000	1	108.0420	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1870	0.000	1	107.6290	0.623	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.0710	0.000	1	107.6290	0.623	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4790	0.000	1	107.4790	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7096	0.386	5	107.8227	0.196	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3880	0.000	1	107.8227	0.196	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8880	0.215	2	107.8762	0.060	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6400	0.000	1	107.8762	0.060	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7420	0.000	1	107.8762	0.060	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2230	0.000	1	107.8762	0.060	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5530	0.000	1	107.5530	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]H)(H)2{2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4270	0.000	1	109.4270	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6a]O)(H)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5420	0.000	1	107.5420	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]H)(H)2{3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.6400	0.000	1	104.6400	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2960	0.000	1	107.7960	0.193	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5460	0.103	2	107.7960	0.193	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8210	0.000	1	107.7435	0.012	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6660	0.000	1	107.7435	0.012	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0740	0.000	1	108.0740	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8900	0.000	1	108.0327	0.022	9	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0440	0.159	7	108.0327	0.022	9	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,5,6]O)(H)2{1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0960	0.000	1	108.0327	0.022	9	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7620	0.000	1	107.7620	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7790	0.000	1	107.7790	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[3,6,6]O)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7900	0.000	1	107.7900	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9180	0.000	1	107.9724	0.003	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9860	0.054	4	107.9724	0.003	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]O)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0080	0.098	2	108.0080	0.010	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4660	0.000	1	107.4660	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1240	0.000	1	108.0440	0.013	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9640	0.000	1	108.0440	0.013	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5900	0.000	1	107.5900	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7330	0.000	1	104.6535	18.967	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	101.5740	0.000	1	104.6535	18.967	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5610	0.000	1	107.5610	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0280	0.000	1	108.0280	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1290	0.000	1	108.1290	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9810	0.000	1	107.9810	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3x5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2410	0.000	1	107.2410	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]C)(C[6]O[6]O)(H)2{2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1440	0.000	1	107.1440	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7950	0.012	4	107.7950	0.000	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7390	0.000	1	107.7390	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[5,6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8120	0.000	1	107.8120	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6665	0.136	2	107.7110	0.015	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8000	0.000	1	107.7110	0.015	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7270	0.000	1	107.7270	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]O)(H)2{1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5740	0.000	1	108.5740	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4755	0.018	2	107.4755	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2460	0.000	1	108.0690	0.059	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9805	0.265	2	108.0690	0.059	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9980	0.000	1	107.9980	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4390	0.000	1	107.4390	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]C)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2630	0.324	3	108.2630	0.105	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]O[6]O)(H)2{4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3320	0.065	3	108.3320	0.004	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]H)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0180	0.064	2	108.0180	0.004	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[3,6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7840	0.000	1	107.7840	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0240	0.000	1	108.0240	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3330	0.000	1	106.3330	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8990	0.068	4	107.8990	0.005	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3660	0.061	2	108.3660	0.004	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6a]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4910	0.000	1	107.4910	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]N)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9630	0.000	1	107.9630	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7630	0.000	1	107.7630	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0010	0.000	1	108.0010	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]B[5]C[5])(C[6]C[6]O)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.9170	0.000	1	111.9170	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8420	0.000	1	107.8420	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4080	0.000	1	108.4080	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6720	0.000	1	107.6395	0.002	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6070	0.000	1	107.6395	0.002	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0700	0.000	1	108.3560	0.401	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2530	0.000	1	108.3560	0.401	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0395	0.035	2	108.3560	0.401	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9213	1.049	3	108.3560	0.401	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1650	0.000	1	108.3560	0.401	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1145	0.049	2	108.3560	0.401	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5355	0.091	2	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3047	1.016	3	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1435	0.117	4	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6488	0.638	4	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3660	0.000	1	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2870	0.000	1	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9810	0.127	2	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{1|O<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2695	0.132	2	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	124.4230	0.000	1	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1775	0.152	4	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]O)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5700	0.000	1	108.9204	10.636	25	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2290	0.000	1	108.2290	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3170	0.000	1	107.3170	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0910	0.000	1	107.7846	1.612	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6030	0.000	1	107.7846	1.612	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6300	2.498	2	107.7846	1.612	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.000	1	107.7846	1.612	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7560	0.000	1	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2620	0.000	1	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6115	0.023	2	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7160	0.000	1	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7550	0.000	1	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7530	0.000	1	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6003	0.382	3	107.7266	0.073	10	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]O)(H)2{1|O<1>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7735	1.023	2	108.7735	1.047	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Cl)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7315	0.021	2	107.7315	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9840	0.075	5	106.9512	6.405	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	101.7870	0.000	1	106.9512	6.405	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1630	0.000	1	108.1630	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.1105	0.271	2	105.1105	0.073	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8180	0.000	1	108.0233	0.060	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1260	0.239	2	108.0233	0.060	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0560	0.256	2	108.0560	0.066	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9400	0.000	1	106.9400	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	103.2340	0.000	1	103.2340	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4446	2.236	8	109.4446	5.000	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2430	0.000	1	106.2430	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7478	1.069	5	107.3726	10.152	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.0805	4.543	3	107.3726	10.152	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9790	0.423	4	108.9790	0.179	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9800	0.000	1	107.9800	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7013	0.390	3	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0492	0.149	5	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9445	0.381	2	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7868	0.310	6	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5380	0.000	1	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6660	0.025	2	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4530	0.000	1	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1000	0.000	1	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1060	0.000	1	107.8404	0.084	22	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0420	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9851	0.321	12	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3909	2.868	10	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9540	0.262	2	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1220	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.0440	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.5970	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9350	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7512	1.358	4	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8980	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8470	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5800	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1570	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0950	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.5220	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7780	0.000	2	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8690	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.0635	1.569	2	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7810	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0350	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1820	0.000	1	108.1496	2.457	47	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0580	0.000	1	108.0580	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7950	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.6087	2.073	3	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9395	0.255	2	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2880	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6910	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8360	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6405	0.050	2	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4290	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7800	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8570	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8230	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6990	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4388	0.121	5	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7920	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6920	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8590	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6038	0.119	5	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5470	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7387	0.066	4	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1884	0.240	5	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1880	0.038	2	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5520	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3140	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6835	0.100	2	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8690	0.000	1	107.7318	0.410	46	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Si)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2920	0.000	1	108.2920	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2060	0.000	1	107.8935	0.195	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5810	0.000	1	107.8935	0.195	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1860	0.000	1	108.1860	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9610	0.000	1	108.2800	0.204	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5990	0.000	1	108.2800	0.204	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7570	0.246	2	108.1620	0.535	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0160	0.000	1	108.1620	0.535	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8420	0.000	1	108.1620	0.535	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4380	0.000	1	108.1620	0.535	5	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.9810	0.000	1	109.9810	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2060	0.000	1	108.1837	1.109	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3460	0.000	1	108.1837	1.109	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3435	0.158	2	108.1837	1.109	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9315	2.306	2	108.1837	1.109	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4830	0.000	1	107.5975	0.026	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7120	0.000	1	107.5975	0.026	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.7920	0.000	1	105.7920	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]C)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4390	0.000	1	108.4390	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6890	0.000	1	107.6890	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1420	0.000	1	108.1420	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)2{1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2090	0.000	1	108.2090	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4960	0.017	2	108.4960	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6790	0.000	1	108.1073	0.292	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1010	0.000	1	108.1073	0.292	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8715	0.036	2	108.1073	0.292	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9460	0.000	1	108.1073	0.292	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1750	0.000	1	108.1073	0.292	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2730	0.000	1	107.2730	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6850	0.000	1	107.7570	0.010	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8290	0.000	1	107.7570	0.010	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3460	0.000	1	108.3460	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3850	0.518	2	108.3850	0.268	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|B<3>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4560	0.000	1	107.3445	0.025	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2330	0.000	1	107.3445	0.025	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.1540	3.032	2	107.5327	6.939	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4940	0.000	1	107.5327	6.939	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.3290	0.000	1	107.5327	6.939	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.5300	0.000	1	108.6893	2.660	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4240	0.000	1	108.6893	2.660	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1140	0.000	1	108.6893	2.660	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8740	0.000	1	107.4294	0.306	7	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7895	0.138	2	107.4294	0.306	7	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6170	0.000	1	107.4294	0.306	7	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2950	0.000	1	107.4294	0.306	7	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]O)(H)2{6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3205	0.108	2	107.4294	0.306	7	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]N[6])(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8290	0.000	1	107.8290	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.4180	0.000	1	109.5420	7.039	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6660	0.000	1	109.5420	7.039	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]H)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	101.6040	0.000	1	101.6040	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]2)(C[6]O[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1980	0.000	1	107.1980	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]C)(H)2{2|H<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8570	0.123	2	107.8570	0.015	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2330	0.000	1	106.2330	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6a]N[6])(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7473	1.035	3	107.7473	1.071	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0242	0.066	4	108.0242	0.004	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7710	0.000	1	107.7710	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0675	0.216	2	107.9268	0.025	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8940	0.054	2	107.9268	0.025	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8870	0.000	1	107.9268	0.025	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7510	0.000	1	107.9268	0.025	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9650	0.000	1	107.9650	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9100	0.000	1	107.6815	0.104	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4530	0.000	1	107.6815	0.104	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6700	0.000	1	107.6700	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6357	0.076	3	107.6070	0.007	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5210	0.000	1	107.6070	0.007	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7060	0.000	1	107.7060	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]O)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8390	0.000	1	107.8390	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	100.8150	0.000	1	104.3265	24.661	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8380	0.000	1	104.3265	24.661	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7930	0.000	1	107.7930	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1240	0.000	1	107.8010	0.049	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6933	0.066	3	107.8010	0.049	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]O[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1120	0.000	1	108.1120	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9830	0.000	1	107.9830	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1220	0.000	1	108.1220	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1505	0.073	2	108.1505	0.005	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6180	0.000	1	107.6180	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8610	0.000	1	107.8610	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4410	0.000	1	107.4410	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|N<3>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8490	0.125	3	107.3746	1.999	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6695	0.011	2	107.3746	1.999	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1025	0.152	2	107.3746	1.999	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	103.9060	0.000	1	107.3746	1.999	8	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7030	0.000	1	107.8070	0.013	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8590	0.100	2	107.8070	0.013	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,2|O<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3730	0.000	1	107.3730	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3800	0.000	1	107.3800	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]N[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7005	0.100	2	107.7005	0.010	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7140	0.000	1	107.7140	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3850	0.000	1	108.9865	2.863	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.9940	2.049	2	108.9865	2.863	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5730	0.000	1	108.9865	2.863	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7890	0.000	1	107.7890	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4110	0.000	1	108.1670	0.843	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7600	1.034	2	108.1670	0.843	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7370	0.000	1	108.1670	0.843	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7460	0.000	1	107.7460	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8340	0.000	2	107.8340	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9680	0.000	1	106.2470	6.080	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.8865	3.374	2	106.2470	6.080	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]O[6]O)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0490	0.000	1	108.0490	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[6]O[5])(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3940	0.000	1	109.3940	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9290	0.000	1	108.9290	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[5,6]N)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5240	0.000	1	109.5240	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8530	0.000	1	107.8530	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8070	0.000	1	107.8070	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2970	0.126	2	108.2970	0.016	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]S)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4590	0.000	1	107.4590	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5a,6]C[5,6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5030	0.000	1	107.5030	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.2370	0.000	3	104.2370	0.000	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1060	0.000	1	108.1060	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9480	0.000	1	107.9480	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5a]C[6])(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6830	0.000	1	107.6830	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0130	0.000	1	107.9316	0.106	15	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8163	0.107	3	107.9316	0.106	15	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9210	0.000	1	107.9316	0.106	15	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6075	0.135	2	107.9316	0.106	15	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9743	0.135	3	107.9316	0.106	15	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0906	0.505	5	107.9316	0.106	15	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8360	0.000	1	107.8360	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5680	0.000	1	107.5680	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1350	0.044	2	108.1350	0.002	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5]O[5]O[6])(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5]O[5]O[6])(C[6]O[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2670	0.014	2	107.2670	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9980	0.000	1	107.9980	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]O)(H)2{1|Ga<6>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.7080	0.000	1	104.7080	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.6015	2.731	4	109.6015	7.460	4	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1185	0.030	2	109.4210	5.090	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	112.0260	0.000	1	109.4210	5.090	3	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9532	0.271	12	107.9605	0.065	14	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0045	0.194	2	107.9605	0.065	14	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8340	0.000	1	107.9712	0.017	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9555	0.059	2	107.9712	0.017	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1005	0.142	2	107.9712	0.017	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8810	0.000	1	107.9712	0.017	6	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7720	2.523	2	108.7720	6.365	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9965	0.015	2	107.9965	0.000	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,1|S<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6440	0.000	1	107.6875	0.004	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]C[6a]C[5])(C[6]C[6]C)(H)2{3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7310	0.000	1	107.6875	0.004	2	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]S[5]H)(C[6]C[6]C)(H)2{1|S<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6970	0.000	1	107.6970	0.000	1	107.9176	2.008	532	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	108.0550	0.048	2	108.0550	0.002	2	108.0427	0.005	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	108.0685	0.060	2	108.0685	0.004	2	108.0427	0.005	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]C[5]N)(N[5,6]C[5,6]C[5])(H)2{5|C<4>,6|H<1>}	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	108.0880	0.000	1	108.0880	0.000	1	108.0427	0.005	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[5,6]N[5,6]H)	H(C[6]C[5,6]N[5,6]H)	107.9210	0.000	1	107.9210	0.000	1	108.0427	0.005	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.1135	0.009	2	108.1135	0.000	2	108.2908	0.039	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.0960	0.000	1	108.0690	0.001	2	108.2908	0.039	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6])(H)2{4|C<4>,7|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.0420	0.000	1	108.0690	0.001	2	108.2908	0.039	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.4100	0.057	3	108.4100	0.003	3	108.2908	0.039	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.5110	0.066	2	108.5110	0.004	2	108.2908	0.039	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.4420	0.000	1	108.4420	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6,6]O[5]C)(N[6]C[6]C)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8420	0.000	1	107.8420	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0890	0.064	3	108.0890	0.004	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0380	0.000	1	108.0380	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8060	0.069	2	107.8060	0.005	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1680	0.218	3	108.1680	0.048	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0506	0.058	7	108.0506	0.003	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6,6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9090	0.000	1	107.9090	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.4207	0.233	29	108.3747	0.062	35	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1525	0.218	6	108.3747	0.062	35	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,5]C[6,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0670	0.000	1	108.0670	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3170	0.000	1	108.3170	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[4]N[5])(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2650	0.000	1	108.2650	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2840	0.000	1	108.2541	0.034	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2763	0.098	3	108.2541	0.034	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3295	0.332	2	108.2541	0.034	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(H)2{2|H<1>,2|N<2>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0070	0.000	1	108.2541	0.034	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.5800	0.000	1	108.4000	0.075	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0850	0.000	1	108.4000	0.075	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.5350	0.000	1	108.4000	0.075	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.4340	0.000	1	108.5485	0.026	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.6630	0.000	1	108.5485	0.026	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[4,6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.6150	0.000	1	107.6150	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0550	0.000	1	108.3390	0.232	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1804	0.077	5	108.3390	0.232	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	109.4160	0.000	1	108.3390	0.232	7	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8290	0.000	1	107.8290	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	109.1640	0.000	1	108.2553	0.139	9	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3150	0.000	1	108.2553	0.139	9	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2057	0.018	3	108.2553	0.139	9	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1855	0.187	2	108.2553	0.139	9	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9155	0.008	2	108.2553	0.139	9	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1960	0.000	1	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.6850	0.000	1	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.5865	0.021	2	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2590	0.000	1	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3430	0.000	1	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{1|Si<4>,3|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9180	0.000	1	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.5800	0.000	1	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2793	0.051	3	108.3629	0.051	11	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[5]O)(N[6]C[6]C)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0430	0.000	1	108.0430	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(N[6]C[6a]C[6])(H)2{1|C<4>,2|N<3>,3|H<1>,5|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3060	0.000	1	108.3060	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6,6a]C)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1920	0.000	1	108.1920	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6,6a]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8410	0.000	1	107.8410	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9890	0.000	1	107.9890	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]S)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3320	0.000	1	108.3320	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8210	0.000	1	107.8210	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9855	0.247	2	107.9855	0.061	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]C)(N[6]O[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1740	0.000	2	108.1740	0.000	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9945	0.042	2	107.9945	0.002	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.8130	0.000	1	108.8130	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8870	0.000	1	108.3960	0.902	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	109.4920	0.000	1	108.3960	0.902	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8090	0.000	1	108.3960	0.902	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]N[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.6220	0.000	1	108.6220	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1960	0.000	1	108.1960	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1840	0.000	1	107.9960	0.071	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5a])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8080	0.000	1	107.9960	0.071	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8900	0.143	2	107.8900	0.020	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(N[6]C[6,6a]S)(H)2{1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9130	0.000	1	107.9130	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.5430	0.000	1	107.5430	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.5480	0.000	1	107.8240	0.152	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1000	0.000	1	107.8240	0.152	2	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.7720	0.000	1	108.0206	0.048	8	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.9725	0.219	4	108.0206	0.048	8	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0560	0.000	1	108.0206	0.048	8	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.0900	0.000	1	108.0206	0.048	8	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3570	0.000	1	108.0206	0.048	8	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2355	0.018	2	107.6793	0.928	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]2C[6])(N[6]C[6]S)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	106.5670	0.000	1	107.6793	0.928	3	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6]C)(H)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2800	0.000	1	108.2800	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]C[5]C[6]O[5])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	107.8058	0.260	4	107.8058	0.068	4	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.3770	0.000	1	108.3770	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]N[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.4880	0.000	1	108.4880	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.2100	0.000	1	108.2100	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]O[5,6]C[5]H)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.4100	0.000	1	108.4100	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]O[5,6]O[5]C)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1820	0.000	1	108.1820	0.000	1	108.2042	0.121	146	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[5,6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	C[6](C[5,6]C[5,6]O[5]H)(O[6]C[5,6]Pt)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]O[6]H)	H(C[6]C[5,6]O[6]H)	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0590	0.066	2	108.0590	0.004	2	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1070	0.000	1	108.3850	0.072	5	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{1|C<3>,3|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.5170	0.000	1	108.3850	0.072	5	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1030	0.000	1	108.3850	0.072	5	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{2|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.7040	0.000	1	108.3850	0.072	5	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(H)2{3|C<3>,3|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.4940	0.000	1	108.3850	0.072	5	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]N[5])(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1660	0.060	4	108.1660	0.004	4	108.2461	0.050	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[3,6]O)(C[6,6]C[6,6]C[6])(H)2{2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6150	0.082	2	107.6150	0.007	2	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7000	0.000	1	107.7000	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7750	0.000	1	107.7750	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]N[6])(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.5880	0.000	1	107.5880	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]N[6]H)(C[6,6]C[6,6]C[6])(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.2740	0.000	1	107.2740	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0150	0.000	1	107.9777	0.018	3	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0900	0.000	1	107.9777	0.018	3	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8280	0.000	1	107.9777	0.018	3	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7440	0.000	1	107.7440	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|O<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8220	0.000	1	107.7270	0.010	4	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2)(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6953	0.097	3	107.7270	0.010	4	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.7020	0.000	1	108.2057	0.111	4	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0403	0.055	3	108.2057	0.111	4	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]Os)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	109.3815	0.491	2	109.3815	0.242	2	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6,6]C[6,6]C[6])(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0824	2.194	8	108.0824	4.814	8	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6]C[6])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.9610	0.000	1	107.9610	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0400	0.000	1	108.0400	0.000	1	108.0133	1.375	30	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.7930	0.126	2	107.7930	0.016	2	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8507	0.942	3	108.0385	0.432	6	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.0590	0.082	2	108.0385	0.432	6	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.5610	0.000	1	108.0385	0.432	6	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.1358	0.070	6	108.1358	0.005	6	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6030	0.000	1	107.6030	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|N<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.4750	0.057	3	109.4735	0.002	4	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.4690	0.000	1	109.4735	0.002	4	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6543	0.018	3	107.6543	0.000	3	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.2710	0.000	1	108.2710	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.9724	0.888	5	107.7321	0.549	16	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8060	0.000	1	107.7321	0.549	16	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.5111	0.857	7	107.7321	0.549	16	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8227	0.076	3	107.7321	0.549	16	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.6685	0.050	2	107.6685	0.003	2	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8210	0.000	1	107.8210	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.9840	0.000	1	107.9840	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	108.1990	0.000	1	108.1990	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	109.4990	0.000	1	109.4990	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.8860	0.000	1	107.8860	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	H(C[6]C[6,6a]C[6,6]H)	107.9480	0.000	1	107.9480	0.000	1	108.0373	0.512	47	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3485	0.121	2	107.3485	0.015	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9880	0.000	1	107.9880	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8980	0.000	1	107.8980	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[5,6]C)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2490	0.000	1	108.2490	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]2)(H)2{3|C<4>,3|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9210	0.000	1	107.9210	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3943	0.155	3	107.3943	0.024	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3000	0.000	1	107.4390	0.039	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5780	0.000	1	107.4390	0.039	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6770	0.000	1	108.0005	0.158	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1840	0.103	2	108.0005	0.158	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4805	0.248	2	108.0005	0.158	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3940	0.042	4	108.0005	0.158	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7115	0.045	2	108.0005	0.158	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]2)(H)2{2|C<4>,3|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.000	1	107.9430	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9400	0.000	1	108.0783	0.016	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1475	0.052	2	108.0783	0.016	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9260	0.000	2	107.9260	0.000	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.6120	0.000	1	106.8329	1.556	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6900	0.000	1	106.8329	1.556	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9390	0.000	1	106.8329	1.556	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4160	0.000	1	106.8329	1.556	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7490	0.000	1	106.8329	1.556	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3846	1.580	5	106.8329	1.556	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4760	0.068	3	107.3938	0.023	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3990	0.000	1	107.3938	0.023	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1420	0.000	1	107.3938	0.023	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4570	0.000	1	108.4570	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3580	0.000	1	107.3580	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9710	0.000	1	107.9710	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5630	0.000	1	107.5630	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]C)(H)2{1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3525	0.127	2	107.3525	0.016	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6]O)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1430	0.000	1	108.1430	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9170	0.000	1	107.9170	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6830	0.081	2	107.6813	0.003	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6780	0.000	1	107.6813	0.003	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7470	0.000	1	107.7470	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0070	0.000	1	107.9897	0.000	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[3,6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9810	0.023	2	107.9897	0.000	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0740	0.000	1	108.0740	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5830	0.000	1	107.5830	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2553	0.223	3	107.2440	0.034	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]O)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2100	0.000	1	107.2440	0.034	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9770	0.000	1	107.8565	0.029	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7360	0.000	1	107.8565	0.029	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6620	0.000	1	107.6620	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0050	0.000	1	108.0587	0.002	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0855	0.019	2	108.0587	0.002	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3400	0.000	1	107.3400	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]C)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0660	0.000	1	108.0660	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1690	0.000	1	107.1690	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1810	0.000	1	107.8537	0.082	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6900	0.054	2	107.8537	0.082	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3985	0.053	2	107.3985	0.003	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9840	0.000	1	108.0253	0.002	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0790	0.000	1	108.0253	0.002	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0130	0.000	1	108.0253	0.002	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5880	0.000	1	107.7151	0.026	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6780	0.086	2	107.7151	0.026	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8830	0.000	1	107.7151	0.026	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5105	0.057	2	107.7151	0.026	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8627	0.050	3	107.7151	0.026	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6a]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0650	0.000	1	108.0650	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9660	0.000	1	107.9660	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6520	0.000	1	107.6520	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]H)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9285	0.093	2	107.9285	0.009	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9300	0.000	1	107.9300	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]O)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6060	0.000	1	107.6060	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5675	0.057	2	107.5017	0.014	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3620	0.061	2	107.5017	0.014	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5755	0.064	2	107.5017	0.014	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7445	0.124	2	107.7445	0.015	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9905	0.193	2	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7673	0.140	8	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6165	0.075	6	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9570	0.000	1	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8190	0.000	1	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6240	0.191	2	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8218	0.195	92	107.8076	0.037	112	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]N)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1010	0.337	2	108.1010	0.113	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6640	0.095	5	107.7587	0.035	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9180	0.000	1	107.7587	0.035	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8216	0.239	5	107.7587	0.035	11	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6200	0.000	1	107.6200	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6750	0.000	1	107.6750	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.2970	3.855	2	104.2970	14.862	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.000	1	107.8740	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]H)(H)2{3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2800	0.000	1	106.2800	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9670	0.000	1	107.9670	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6770	0.000	1	107.6970	0.001	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7170	0.000	1	107.6970	0.001	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7020	0.006	2	107.7020	0.000	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3660	0.000	1	108.3660	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0080	0.000	1	108.0080	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5820	0.000	1	108.1200	0.161	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8890	0.045	2	108.1200	0.161	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2550	0.000	1	108.2550	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7480	0.000	1	107.6852	0.017	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|Cl<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6235	0.193	2	107.6852	0.017	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7155	0.129	2	107.6852	0.017	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7470	0.000	1	107.7413	0.014	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7385	0.168	2	107.7413	0.014	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6690	0.059	3	107.7734	0.020	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0030	0.000	1	107.7734	0.020	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.028	2	107.7734	0.020	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5700	0.000	1	107.7734	0.020	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8685	0.006	2	107.7734	0.020	9	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Si)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5150	0.000	1	107.5150	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.0490	0.000	1	108.4597	1.694	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1360	0.406	2	108.4597	1.694	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8123	0.261	3	108.4597	1.694	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2560	0.000	1	108.0647	0.032	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]C)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9690	0.100	2	108.0647	0.032	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.7990	5.266	3	108.0684	3.006	28	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9150	0.258	3	108.0684	3.006	28	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7170	0.138	22	108.0684	3.006	28	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7930	0.000	1	107.4310	0.067	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3103	0.115	3	107.4310	0.067	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8290	0.000	1	108.5133	1.903	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6100	0.000	1	108.5133	1.903	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.1010	0.000	1	108.5133	1.903	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5430	0.039	3	107.9482	4.653	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7130	0.000	1	107.9482	4.653	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2900	0.000	1	107.9482	4.653	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.0570	0.000	1	107.9482	4.653	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5820	0.205	2	107.2852	0.444	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5010	0.000	2	107.2852	0.444	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3860	0.000	1	107.2852	0.444	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1590	0.000	1	107.2852	0.444	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6867	0.009	3	107.6867	0.000	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4910	0.124	2	107.3663	0.015	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3020	0.078	3	107.3663	0.015	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]O)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3100	0.000	1	107.3663	0.015	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.7720	0.000	1	111.7720	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5410	0.000	1	107.5330	0.000	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]O[6]O)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5250	0.000	1	107.5330	0.000	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Br)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8095	0.039	2	107.8095	0.002	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6960	0.000	1	107.6960	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0680	0.000	1	107.4542	0.172	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6530	0.000	1	107.4542	0.172	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4365	0.139	2	107.4542	0.172	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0060	0.000	1	107.4542	0.172	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1250	0.000	1	107.4542	0.172	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0210	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8830	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5160	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6990	0.078	2	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0980	0.918	3	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6620	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5830	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8460	0.000	1	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3790	0.000	2	107.4168	0.414	14	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6780	0.000	1	108.1798	0.754	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7940	0.000	1	108.1798	0.754	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0860	1.017	2	108.1798	0.754	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6500	0.000	1	108.1798	0.754	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7850	0.000	1	108.1798	0.754	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2940	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3820	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.6340	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6430	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3353	2.258	3	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9420	0.283	2	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6130	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9770	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9640	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4900	0.000	1	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	102.1386	10.073	3	106.8939	20.356	16	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]O)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1350	0.000	1	107.1350	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]O)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5190	0.000	1	107.5190	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7360	0.201	2	107.7360	0.040	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7422	0.093	5	107.8166	0.027	8	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9407	0.200	3	107.8166	0.027	8	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7198	0.069	4	107.7198	0.005	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|Br<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2110	0.000	1	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9743	0.170	3	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6070	0.000	1	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8267	0.170	17	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.0815	1.322	2	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.9945	2.811	2	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9240	0.000	1	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6065	0.286	2	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.132	3	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3469	1.477	8	107.4140	1.399	40	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<2>,1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2180	0.000	2	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5020	0.000	1	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.1860	0.000	2	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9993	0.094	4	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8050	1.219	4	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3432	0.135	4	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8528	1.783	4	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8470	0.000	1	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0670	0.037	2	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.7110	0.000	1	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8560	0.909	3	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1970	0.000	1	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7230	0.000	1	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.9610	0.000	1	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2500	0.096	2	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]O)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4470	0.082	2	108.0813	1.431	35	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9410	0.000	1	107.9410	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.197	5	108.0624	0.095	13	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3182	0.157	5	108.0624	0.095	13	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0335	0.353	2	108.0624	0.095	13	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4630	0.000	1	108.0624	0.095	13	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|B<4>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5565	0.103	2	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3990	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5470	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9350	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5253	0.126	3	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8620	0.181	5	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9470	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4840	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7420	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4865	0.073	2	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7690	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5360	0.013	2	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	123.3370	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0280	0.062	2	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8690	0.089	3	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7220	0.000	1	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6775	0.107	2	108.2845	7.949	31	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Cl)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9325	0.121	2	107.9325	0.015	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8170	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0280	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8405	0.018	2	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.2840	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8570	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8650	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.2495	4.536	2	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0015	0.006	2	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7180	0.007	2	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,1|S<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8440	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0660	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7130	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9780	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8060	0.035	2	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.4790	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9510	0.000	1	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1506	0.421	7	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6670	0.117	4	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)2{7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0793	1.627	4	107.8665	1.523	39	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0270	0.000	1	107.9947	0.058	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8830	0.000	1	107.9947	0.058	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9370	0.000	1	107.9947	0.058	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7830	0.000	1	107.9947	0.058	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1690	0.412	2	107.9947	0.058	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2815	0.013	2	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0560	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0230	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2940	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7163	0.150	3	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4875	0.279	2	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7550	0.061	2	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8970	0.093	2	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9701	1.684	8	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7180	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|S<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2450	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7493	0.119	4	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7827	0.211	3	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7030	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0100	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7855	0.172	2	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9288	0.332	4	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9030	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8620	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9840	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4690	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5320	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8090	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8920	0.352	2	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8457	0.204	4	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8350	0.000	1	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4591	0.483	7	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8667	0.017	3	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.7126	5.280	17	108.1256	6.811	79	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8315	0.639	2	107.8315	0.408	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5560	0.000	1	107.5560	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6])(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6175	0.033	2	107.6175	0.001	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0950	0.000	1	107.0950	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6,6]O)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9947	0.101	3	107.9947	0.010	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5840	0.065	2	107.0948	0.312	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0760	0.000	1	107.0948	0.312	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9510	0.000	1	107.0948	0.312	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1870	0.058	2	107.0948	0.312	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6340	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2630	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1000	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3710	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2670	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	97.1637	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]O)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2820	0.000	1	105.8687	14.761	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]O)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9183	0.047	3	107.9183	0.002	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8210	0.000	1	107.7035	0.028	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]O)(H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5860	0.000	1	107.7035	0.028	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0210	0.000	1	107.4497	0.138	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6590	0.000	1	107.4497	0.138	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6690	0.000	1	107.4497	0.138	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7165	0.066	2	106.4623	4.171	17	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7500	0.000	1	106.4623	4.171	17	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2201	2.250	13	106.4623	4.171	17	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.8150	0.000	1	106.4623	4.171	17	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8950	0.000	1	106.7933	3.453	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2425	2.255	2	106.7933	3.453	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0820	0.000	1	108.2760	0.075	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4700	0.000	1	108.2760	0.075	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]P)(C[6]C[6,6]C)(H)2{1|B<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2390	0.000	1	108.2390	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4880	0.000	1	107.4880	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[5,6]O)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7310	0.000	1	107.7310	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1880	0.000	1	108.1880	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0900	0.000	1	108.1103	0.056	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8840	0.000	1	108.1103	0.056	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3570	0.000	1	108.1103	0.056	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9400	0.349	2	107.9400	0.122	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8387	0.055	3	107.8387	0.003	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]H)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9390	0.000	1	107.9390	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8565	0.100	2	108.2882	1.156	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.2060	0.000	1	108.2882	1.156	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7000	0.000	1	108.2882	1.156	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.000	1	108.2882	1.156	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]O[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6610	0.000	1	108.6610	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9680	0.000	1	107.9680	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]O)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6960	0.000	1	107.6960	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0577	0.080	3	108.0577	0.006	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5710	0.000	1	107.5710	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8110	0.000	1	107.4711	1.715	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0620	0.000	1	107.4711	1.715	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0345	0.016	2	107.4711	1.715	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9230	0.126	2	107.4711	1.715	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.5100	0.000	1	107.4711	1.715	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4193	0.170	6	107.4193	0.029	6	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[5,6]O)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8173	0.038	4	107.8173	0.001	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]2Si[6])(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	107.7300	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0000	0.000	1	108.0000	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2110	0.000	1	108.2110	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9140	0.000	1	107.9140	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4450	0.000	1	107.4450	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9870	0.000	1	107.9870	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8360	0.000	1	107.6487	0.026	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5460	0.000	1	107.6487	0.026	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5640	0.000	1	107.6487	0.026	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8410	0.000	1	107.8410	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.000	1	107.7610	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8215	0.144	2	107.8215	0.021	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2560	0.000	1	108.2560	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7197	0.091	7	107.7197	0.008	7	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]C)(H)2{1|N<3>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8645	0.217	4	107.8645	0.047	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8510	0.000	1	107.8510	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.000	1	107.7610	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7990	0.000	1	108.7990	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9630	0.000	1	108.0640	0.027	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2030	0.014	2	108.0640	0.027	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8870	0.000	1	108.0640	0.027	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]P)(C[6]C[6a]C[6])(H)2{1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6210	0.000	1	107.6210	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9680	0.041	2	107.9680	0.002	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6340	3.053	2	109.6340	9.323	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6240	0.000	1	107.6240	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3920	0.000	1	107.1957	0.542	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]O)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5975	0.340	2	107.1957	0.542	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8287	0.116	3	107.8287	0.013	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4720	0.115	2	107.4720	0.013	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]H)(H)2{2|C<4>,2|O<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2170	0.000	1	107.2170	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5434	0.134	5	107.5434	0.018	5	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|B<4>,2|C<3>,8|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.040	2	107.8230	0.033	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,2|N<3>,3|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8870	0.287	2	107.8230	0.033	4	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7520	0.033	2	107.7520	0.001	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7245	0.021	2	107.8197	0.027	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0100	0.000	1	107.8197	0.027	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]P)(H)2{1|B<4>,2|C<3>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6100	0.000	1	107.6100	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4230	0.000	1	108.1580	1.203	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]O)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5255	0.076	2	108.1580	1.203	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9870	0.000	1	107.9870	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]N[6,6]O)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4460	0.000	1	107.4460	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[3x6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5280	0.000	1	107.5280	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2350	0.000	1	106.9490	0.104	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8060	0.293	2	106.9490	0.104	3	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1210	0.000	1	108.1210	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6570	0.000	1	107.8325	0.062	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0080	0.000	1	107.8325	0.062	2	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6427	0.041	3	107.8270	0.032	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|Mo<7>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7730	0.000	1	107.8270	0.032	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8165	0.016	2	107.8270	0.032	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0590	0.071	3	107.8270	0.032	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.000	1	107.8270	0.032	10	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6a]C[6,6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9770	0.000	1	107.9770	0.000	1	107.7617	2.189	820	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	110.2460	0.000	1	110.2460	0.000	1	108.2919	0.543	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	107.9945	0.054	4	107.9945	0.003	4	108.2919	0.543	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	108.1260	0.069	3	108.1260	0.005	3	108.2919	0.543	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]N[5,6]H)	H(C[6]C[6,6]N[5,6]H)	108.0250	0.000	1	108.0250	0.000	1	108.2919	0.543	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3,6]C[3x6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.1220	0.000	1	108.1220	0.000	1	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.2010	0.000	1	108.0069	0.027	13	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.0600	0.000	1	108.0069	0.027	13	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|Cl<1>,1|C<3>,1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.3020	0.000	1	108.0069	0.027	13	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.0338	0.099	5	108.0069	0.027	13	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.8740	0.147	4	108.0069	0.027	13	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|N<4>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.8620	0.000	1	108.0069	0.027	13	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{5|H<1>,6|C<4>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9670	0.025	2	107.9670	0.001	2	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.7017	0.098	3	108.0444	0.876	8	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	110.3350	0.000	1	108.0444	0.876	8	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.5705	0.001	2	108.0444	0.876	8	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9820	0.000	1	108.0444	0.876	8	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.7920	0.000	1	108.0444	0.876	8	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6])(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9430	0.000	1	107.9430	0.000	1	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C[6])(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9970	0.320	2	107.9970	0.102	2	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]N[6,6]C[6a]O[6])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	111.2655	0.310	2	111.2655	0.096	2	108.2403	0.941	29	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(N[6]C[6,6]C)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.5110	0.000	1	109.5110	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3,6]N[6,6]H)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.4070	0.000	1	108.4070	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0100	0.000	1	108.0100	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0270	0.072	2	108.0270	0.005	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8890	0.000	1	107.9060	0.001	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6,6]H)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9230	0.000	1	107.9060	0.001	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6]C)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7470	0.000	1	107.7470	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6]C[6,6]S)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0530	0.000	1	108.0530	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6790	0.006	2	107.6790	0.000	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(N[6]C[5,5,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7650	0.049	6	107.7650	0.002	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6848	0.263	9	107.6432	0.051	14	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6300	0.000	1	107.6432	0.051	14	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5530	0.148	4	107.6432	0.051	14	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.5330	0.000	1	109.5330	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5970	0.000	1	107.5970	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6,6a]H)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0140	0.000	1	108.0140	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0525	0.074	2	108.0525	0.006	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]S)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1720	0.000	1	108.1720	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[5,6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7960	0.000	1	107.7960	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3510	0.000	1	108.3905	0.003	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.4300	0.000	1	108.3905	0.003	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.4147	0.015	3	107.9532	1.160	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(N[6]C[6]C)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.5690	0.000	1	107.9532	1.160	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9460	0.000	1	107.9460	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1700	0.176	4	108.0875	0.035	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9225	0.026	2	108.0875	0.035	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2507	0.130	4	108.2507	0.017	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.4320	0.000	1	109.4320	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.2010	0.000	1	107.5910	0.304	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9810	0.000	1	107.5910	0.304	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]H)(H)2{2|N<3>,5|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1120	0.000	1	108.1120	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1020	0.000	1	107.9600	0.040	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8180	0.000	1	107.9600	0.040	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6590	0.000	1	107.7480	0.030	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8010	0.000	1	107.7480	0.030	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0670	0.000	1	107.7480	0.030	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6,6a]S)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6537	0.065	3	107.7480	0.030	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9405	0.125	2	107.9405	0.016	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0897	0.080	3	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0614	0.983	19	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5183	1.287	6	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|P<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0125	0.330	2	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2373	0.424	3	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2290	0.000	1	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	106.8025	0.712	2	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2640	0.000	1	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9010	0.000	1	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8850	0.000	1	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1020	0.000	1	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]C)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.8687	1.551	3	108.0668	1.105	43	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.1565	1.405	2	107.3163	1.064	3	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6360	0.000	1	107.3163	1.064	3	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|Br<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0390	0.000	1	108.0570	0.001	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0750	0.000	1	108.0570	0.001	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.4440	0.000	1	109.4440	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[3,4,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.7050	0.000	1	109.7050	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]C)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6780	0.000	1	107.6780	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[4,6]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8155	0.118	2	107.8155	0.014	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	106.3820	0.000	1	106.3820	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8835	0.248	2	107.8835	0.062	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|S<2>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7390	0.044	2	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0870	0.104	5	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0713	0.095	4	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7630	0.000	1	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|S<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2730	0.000	1	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.7470	0.573	4	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6682	0.724	10	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,1|S<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2620	0.052	2	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.4795	0.385	2	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8874	0.047	5	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0480	0.146	2	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1630	0.000	1	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0625	0.080	2	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0390	0.000	1	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7500	0.041	2	108.0170	0.243	44	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.4445	0.182	2	108.1671	0.098	9	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3600	0.049	2	108.1671	0.098	9	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7753	0.074	3	108.1671	0.098	9	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3880	0.000	1	108.1671	0.098	9	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1810	0.000	1	108.1671	0.098	9	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.5315	0.036	2	108.4090	0.022	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2865	0.063	2	108.4090	0.022	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.2980	0.080	4	107.2980	0.006	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]O)(N[6]O[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.9980	0.000	1	109.9980	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.2982	1.511	8	107.2982	2.283	8	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8820	0.000	1	107.8820	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(N[6]C[6]S)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1500	0.000	1	108.1500	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]Si[6])(N[6]C[6]S)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9310	0.000	1	107.9310	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]O[6]H)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2370	0.000	1	108.2370	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]Si[6]H)(N[6]C[6]S)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3115	0.008	2	108.3115	0.000	2	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3590	0.000	1	108.3590	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0580	0.000	1	108.1757	0.015	3	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2345	0.098	2	108.1757	0.015	3	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(N[6]C[6]C)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.7980	0.000	1	109.7980	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1993	0.097	4	108.1993	0.009	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2N[6])(N[6]C[5,6]C)(H)2{4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6370	0.000	1	107.6370	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2N[6])(N[6]C[6a]C[6])(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1860	0.000	1	108.1860	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]C[6]S)(H)2{3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3660	0.000	1	108.3660	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]2O[6])(N[6]O[6]C)(H)2{1|B<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2070	0.000	1	108.2070	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2720	0.000	2	108.2943	0.003	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]3)(N[6]C[6]S)(H)2{4|C<4>,7|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.3165	0.078	2	108.2943	0.003	4	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[5]C[6])(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8820	0.000	1	107.8820	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6]C)(H)2{2|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6980	0.000	1	107.6980	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6]O[6]2)(N[6]C[6a]C[6])(H)2{2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.2823	0.165	3	108.2823	0.027	3	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	110.2580	0.000	1	110.2580	0.000	1	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1380	0.054	6	108.1380	0.003	6	108.0228	0.533	230	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6,6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]O)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]O)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	108.4700	1.594	2	108.4700	2.540	2	108.4700	2.540	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.1625	0.730	2	106.0873	3.735	3	106.0873	3.735	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:B[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](C[6]C[6]HH)(B[6]N[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	103.9370	0.000	1	106.0873	3.735	3	106.0873	3.735	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]O[6])(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5470	0.000	1	107.5470	0.000	1	107.8265	0.036	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9250	0.062	2	107.9197	0.002	3	107.8265	0.036	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6,6]2)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9090	0.000	1	107.9197	0.002	3	107.8265	0.036	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<6>,1|H<1>,2|C<3>,4|B<6>}	H(C[6]C[6,6a]C[6]H)	H(C[6]C[6,6a]C[6]H)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0385	3.260	2	110.0385	10.631	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8797	0.180	3	107.8797	0.032	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9707	0.305	4	107.9707	0.093	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1915	0.891	4	108.1915	0.793	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9770	0.000	1	107.6740	0.972	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3710	0.000	1	107.6740	0.972	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2870	0.000	1	108.2870	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]O)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3565	0.015	2	107.3565	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1360	0.000	1	108.1360	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8190	0.000	1	107.8190	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1220	0.000	1	107.1220	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8290	0.000	1	107.8290	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1688	0.378	6	109.4309	6.815	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.9550	3.545	3	109.4309	6.815	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1960	0.000	1	107.1960	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9460	0.000	1	107.9460	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4750	0.000	1	109.7460	3.084	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8815	2.461	2	109.7460	3.084	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8113	0.340	3	107.8113	0.115	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7907	0.127	3	107.7907	0.016	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5120	0.000	1	107.5120	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4065	0.094	2	107.3753	0.007	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3130	0.000	1	107.3753	0.007	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6a]O)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5240	0.000	1	107.5240	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6410	0.000	1	107.6410	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2930	0.133	2	108.2930	0.018	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7270	0.000	1	107.7270	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6200	0.044	2	107.6200	0.002	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1320	0.000	1	108.1320	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]BrH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8260	0.000	1	107.8260	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8385	0.002	2	107.8385	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]N[5,6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3460	0.000	1	107.3460	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8215	0.076	2	107.8215	0.006	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4620	0.000	1	107.4620	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5100	0.000	1	107.5100	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6730	0.000	1	107.6730	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0930	0.000	1	108.1680	0.005	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2055	0.040	2	108.1680	0.005	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8690	0.000	1	107.8260	0.004	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7830	0.000	1	107.8260	0.004	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1170	0.000	1	108.1170	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]H)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8900	0.000	1	107.8900	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]O)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0480	0.000	1	108.0480	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7270	0.000	1	107.4105	0.161	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3050	0.418	3	107.4105	0.161	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	107.0480	1.778	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1050	0.000	1	107.0480	1.778	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]H)(H)2{2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7960	0.000	1	107.7960	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	101.7287	8.262	2	101.7287	68.265	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3400	0.055	2	107.3400	0.003	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]N)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.8370	0.000	1	112.8370	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4850	0.000	1	107.4850	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8023	0.133	3	107.8023	0.018	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7770	0.000	1	107.7770	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0520	0.000	1	108.0520	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2560	0.000	1	107.2560	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6010	0.000	1	107.6010	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6495	0.012	2	107.6495	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5910	0.000	1	107.6370	0.004	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6830	0.000	1	107.6370	0.004	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.051	2	107.7387	0.096	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8355	0.414	2	107.7387	0.096	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4325	0.063	4	107.7387	0.096	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.130	2	107.7387	0.096	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8778	0.191	4	107.9430	0.049	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2040	0.000	1	107.9430	0.049	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4933	0.134	6	107.4933	0.018	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]S)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4193	0.031	3	107.4193	0.001	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3870	0.000	1	107.3870	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6084	0.100	5	107.6084	0.010	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	107.5438	0.090	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2945	0.078	2	107.5438	0.090	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8800	0.000	1	107.5438	0.090	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4180	0.023	2	107.4180	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6615	0.391	2	107.4812	0.072	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2985	0.060	2	107.4812	0.072	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4860	0.000	1	107.4812	0.072	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9735	0.272	2	107.9735	0.074	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5910	0.000	2	107.7080	0.041	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9420	0.000	1	107.7080	0.041	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6993	0.110	6	107.6993	0.012	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.117	2	107.7229	0.041	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3640	0.000	1	107.7229	0.041	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6770	0.000	1	107.7229	0.041	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9270	0.000	1	107.7229	0.041	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.000	1	107.7229	0.041	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5770	0.000	1	107.7229	0.041	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	108.0250	0.016	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]Cl)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.000	1	108.0250	0.016	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4920	2.294	2	107.1771	2.449	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9843	0.086	3	107.1771	2.449	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8997	1.881	8	107.1771	2.449	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7610	0.208	2	107.1771	2.449	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9510	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2310	0.269	2	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4050	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6170	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7521	0.188	19	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6350	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8210	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.000	1	107.7929	0.054	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2620	0.000	1	107.2620	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2510	0.000	1	108.2510	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7210	0.000	1	107.7774	0.017	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7845	0.137	8	107.7774	0.017	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[3]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.8880	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.000	1	107.8030	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6320	0.000	1	107.6320	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.000	1	107.6265	0.040	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]O)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4850	0.000	1	107.6265	0.040	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]C)(C[6]C[6]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3630	0.000	1	109.3630	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6a]O)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.099	5	107.7710	0.010	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.000	1	107.8029	0.039	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0220	0.000	1	107.8029	0.039	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8083	0.183	10	107.8029	0.039	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4680	0.000	1	107.8029	0.039	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4980	0.000	1	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9130	0.000	1	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4780	0.000	1	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9735	0.322	2	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1650	0.182	2	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5200	0.158	2	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6347	0.192	6	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2530	0.000	1	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3120	0.010	2	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5020	0.000	1	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.129	2	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.000	1	107.7282	0.090	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)2{1|C<4>,7|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6780	0.000	1	107.6780	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2410	0.000	1	107.2410	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6125	0.045	2	107.6587	0.007	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.000	1	107.6587	0.007	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2810	0.000	1	107.2810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]O)(C[6]S[6]C)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2750	0.300	3	107.2750	0.090	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2830	0.000	1	108.2830	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4650	0.000	1	108.2970	0.427	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1400	0.000	1	108.2970	0.427	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]C)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7915	0.173	2	108.2970	0.427	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4640	0.000	1	108.4640	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0217	0.120	12	107.9808	0.019	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8780	0.000	1	107.9808	0.019	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7865	0.040	2	107.9808	0.019	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7135	0.004	2	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6090	0.253	2	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7030	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8080	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9113	0.869	3	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4020	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5220	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1990	0.000	2	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8070	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4090	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4930	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5440	0.000	1	108.0862	0.750	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2600	0.000	2	107.2600	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1445	1.234	2	108.1796	0.458	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5650	0.000	1	108.1796	0.458	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2570	0.000	1	108.1796	0.458	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7870	0.000	1	108.1796	0.458	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3880	0.000	1	107.3880	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(H)2{1|C<2>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.000	1	107.8010	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7355	0.094	2	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1540	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6940	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9100	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9830	0.051	2	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6790	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1810	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7520	0.000	1	107.7982	0.067	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1360	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5690	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0445	0.139	4	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9627	0.100	4	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1999	1.215	7	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0350	1.994	5	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4160	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7585	0.042	2	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6855	0.071	2	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1900	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.612	2	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0660	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5020	0.513	2	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3490	0.000	1	107.7557	1.049	35	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9880	0.000	1	107.8053	0.038	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8290	0.000	1	107.8053	0.038	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5990	0.000	1	107.8053	0.038	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9520	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3053	0.668	4	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3080	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7615	0.047	2	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6550	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4840	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7040	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5447	0.401	3	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5520	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5345	0.029	2	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1210	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5293	0.185	4	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1695	0.416	2	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4965	0.155	2	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0726	3.540	5	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7425	0.012	2	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5745	0.011	2	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1750	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5850	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1450	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6967	0.342	4	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4800	0.000	1	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2623	1.167	3	107.5571	1.625	46	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2460	0.000	1	108.2460	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1290	0.000	1	107.9685	0.052	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8080	0.000	1	107.9685	0.052	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3910	0.000	1	108.3910	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]S[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9990	0.000	1	106.9990	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[5,6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4730	0.000	1	107.4730	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6640	0.000	1	108.3115	0.249	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.000	1	108.3115	0.249	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9610	0.087	3	107.9610	0.008	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7670	0.000	1	108.2603	0.234	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2800	0.000	1	108.2603	0.234	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7340	0.000	1	108.2603	0.234	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7750	0.000	1	107.7750	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HP)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6210	0.000	1	107.6210	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[5,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4430	0.000	1	107.4430	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[6]N)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8490	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]O)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9610	0.000	1	107.9610	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]OO)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	107.7490	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6,6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2090	0.000	1	107.2090	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,2|O<1>,6|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9980	0.000	1	106.9775	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2S[6])(C[6]C[6]C)(H)2{2|Fe<10>,6|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9570	0.000	1	106.9775	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]P[6])(H)2{1|O<1>,2|C<4>,2|H<1>,5|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5270	0.000	1	109.5270	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7150	0.000	1	108.7150	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5520	0.000	1	107.8460	0.069	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0600	0.000	1	107.8460	0.069	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9260	0.000	1	107.8460	0.069	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6790	0.000	1	107.6790	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]H)(H)2{1|Fe<10>,1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2920	0.000	1	108.2920	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0190	0.000	1	108.0190	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6280	0.000	1	107.7310	0.021	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]O)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.000	1	107.7310	0.021	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6916	0.544	5	107.7482	0.256	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0310	0.000	1	107.7482	0.256	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7227	0.149	4	107.7227	0.022	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6390	0.000	1	107.6390	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4310	0.000	1	107.3275	0.021	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2240	0.000	1	107.3275	0.021	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8505	0.086	2	107.7490	0.035	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5460	0.000	1	107.7490	0.035	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]O[6]O)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3410	0.000	1	107.3410	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]O)(H)2{1|O<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.000	1	107.8230	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5750	0.000	1	107.7358	0.212	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4795	0.138	4	107.7358	0.212	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9220	0.000	1	107.7358	0.212	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{1|S<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7740	0.000	1	107.8055	0.057	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8118	0.267	5	107.8055	0.057	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4805	0.088	2	107.3594	0.083	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8630	0.000	1	107.3594	0.083	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1730	0.150	4	107.3594	0.083	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6560	0.000	1	107.6560	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7550	0.000	1	106.7550	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6a]N[6])(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3990	0.000	1	107.3990	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4710	0.000	1	107.4710	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9450	0.000	1	107.9450	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6710	0.000	1	107.6710	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	107.9960	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|C<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0330	0.000	1	107.6917	0.083	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4540	0.024	2	107.6917	0.083	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8260	0.000	1	107.6917	0.083	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7640	0.000	1	106.5010	6.088	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7340	0.000	1	106.5010	6.088	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.8000	0.000	1	106.5010	6.088	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	106.5010	6.088	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6a]N[6])(C[6]C[6]O)(H)2{1|H<1>,1|S<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6760	0.000	1	107.6760	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0540	0.000	1	107.9750	0.035	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.000	1	107.9750	0.035	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6900	0.000	1	107.9750	0.035	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9695	0.059	2	107.9750	0.035	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3285	0.025	2	108.3285	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HH)(C[6]C[6,6]H)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	96.4118	0.000	1	96.4118	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6490	0.000	1	107.4547	0.488	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8575	0.050	2	107.4547	0.488	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6580	0.160	2	107.6580	0.026	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8900	0.000	1	107.8900	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4580	0.000	1	108.6715	1.237	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.000	1	108.6715	1.237	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7010	0.000	1	107.6605	0.060	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7195	0.057	2	107.6605	0.060	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1770	0.000	1	107.6605	0.060	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.048	2	107.6605	0.060	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6810	0.000	1	107.6810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4720	0.000	1	107.2428	2.969	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8272	1.893	9	107.2428	2.969	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5200	0.613	3	107.2428	2.969	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.8040	0.000	1	107.2428	2.969	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4640	0.000	1	107.2428	2.969	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6915	0.235	2	107.2428	2.969	17	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7210	0.000	2	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6440	0.485	2	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.180	2	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8090	0.000	1	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7820	0.000	1	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.8800	0.000	2	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5097	0.076	3	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2280	0.000	1	108.3236	2.326	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1640	0.000	1	108.1640	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9820	0.000	1	107.9820	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[5,6]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3460	0.000	1	107.3460	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5630	0.000	1	107.5630	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.000	1	107.8420	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7626	0.079	5	108.0150	0.373	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7480	0.570	2	108.0150	0.373	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1195	0.083	2	108.0150	0.373	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6020	0.000	1	108.0150	0.373	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3620	0.000	1	107.3620	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3525	0.308	2	108.3525	0.095	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8530	0.000	1	107.7925	0.026	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7723	0.189	3	107.7925	0.026	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|C<3>,1|S<4>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3990	0.000	1	109.1940	1.819	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4460	0.000	1	109.1940	1.819	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[3,6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.000	1	109.1940	1.819	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[4,6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8115	0.268	2	107.8115	0.072	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9525	0.076	4	107.9525	0.006	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8253	0.277	3	107.7482	0.075	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5170	0.000	1	107.7482	0.075	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1280	0.000	1	107.6835	0.617	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5,6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2390	0.000	1	107.6835	0.617	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[5]C[6])(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1550	3.162	2	106.1550	9.999	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	107.8840	0.140	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0420	0.000	1	107.8840	0.140	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8190	0.510	3	107.8840	0.140	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5600	0.000	1	107.5600	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3745	0.402	4	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5733	0.561	3	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1690	0.895	2	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7250	0.000	1	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8930	0.000	1	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7075	0.114	2	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3595	2.524	2	107.9539	1.029	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|N<3>,1|N<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.8050	0.022	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7360	0.124	2	107.8050	0.022	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8610	0.212	2	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7160	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9333	0.167	6	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7110	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7500	0.170	2	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0720	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.072	2	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8771	0.161	8	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7538	0.401	5	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5380	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3730	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7150	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0800	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9700	0.010	2	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9921	0.663	7	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2250	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9510	0.680	15	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0345	0.045	2	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6917	1.696	21	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2240	0.000	1	107.8502	0.895	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]Cl)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2380	0.000	1	108.2380	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8945	0.132	4	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8132	0.257	4	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8370	0.052	2	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9125	0.139	2	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8430	0.000	1	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7756	1.321	16	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0270	0.182	3	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6658	0.947	6	108.3858	1.024	38	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1503	0.274	3	108.0174	0.110	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.000	1	108.0174	0.110	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0260	0.547	3	108.0174	0.110	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9510	0.000	1	108.0174	0.110	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7650	0.000	1	108.0174	0.110	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0650	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9270	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0010	0.239	2	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1426	0.968	19	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8680	0.166	6	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4770	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0194	0.460	81	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0320	0.153	2	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6195	0.062	2	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.046	3	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0046	0.203	9	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5771	0.218	14	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2149	1.496	11	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3400	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1670	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6760	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7150	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2381	0.681	11	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4740	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9350	0.000	1	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7135	0.266	4	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5482	0.967	10	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6778	4.637	31	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8001	0.558	42	107.9138	2.907	256	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4860	0.000	1	107.6615	0.051	23	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5243	0.071	3	107.6615	0.051	23	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6608	0.199	18	107.6615	0.051	23	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]O)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2600	0.000	1	107.6615	0.051	23	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5710	0.000	1	107.5657	0.002	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5a,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5630	0.065	2	107.5657	0.002	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]N)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2460	0.000	1	108.2460	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6890	0.000	1	107.2283	0.849	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7410	0.000	1	107.2283	0.849	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4860	0.000	1	107.2283	0.849	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7020	0.000	1	107.2283	0.849	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3760	1.424	2	107.2283	0.849	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5530	0.103	2	107.5530	0.011	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1790	0.000	1	107.4026	0.052	8	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3700	0.040	2	107.4026	0.052	8	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2030	0.007	2	107.4026	0.052	8	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6320	0.190	3	107.4026	0.052	8	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4260	0.000	1	107.6202	0.017	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6850	0.032	3	107.6202	0.017	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4030	0.000	1	107.4030	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5890	0.000	1	107.5890	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.0060	0.000	1	105.3900	11.367	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7740	0.000	1	105.3900	11.367	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9090	0.000	1	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0910	0.000	1	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1257	0.284	3	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0935	0.080	2	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8570	0.389	2	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.2240	0.000	1	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3670	0.000	1	108.5335	1.702	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3939	1.569	58	107.3939	2.462	58	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HS)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3340	0.000	1	107.3340	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N[5a]H)(C[6]C[6,6]O)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1980	0.000	1	107.1980	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8200	0.000	1	107.8200	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.059	2	107.8900	0.009	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	107.8900	0.009	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1858	1.850	5	110.1858	3.424	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8954	0.234	5	107.8954	0.055	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8400	0.000	1	107.8400	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	107.9960	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6625	0.600	2	107.6625	0.360	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2248	0.756	4	107.2248	0.571	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5900	0.211	2	107.5900	0.044	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4210	0.000	1	107.4210	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(H)2{1|H<1>,1|S<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8410	0.000	1	107.8410	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4820	0.040	2	109.4820	0.002	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	107.9360	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8810	0.000	1	107.8810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7905	0.090	2	109.3720	7.507	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]C)(H)2{1|Cl<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.5350	0.000	1	109.3720	7.507	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.218	3	107.8940	0.048	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5580	0.000	1	107.5580	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5770	0.000	1	107.6373	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6675	0.076	2	107.6373	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0558	0.078	5	108.0558	0.006	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8744	0.197	10	107.8744	0.039	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6,6]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8160	0.000	1	107.8160	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1475	0.090	2	108.1913	0.010	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2790	0.000	1	108.1913	0.010	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5]S[6])(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7020	0.144	2	107.7020	0.021	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]O)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6850	0.000	1	107.6850	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6a]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7710	0.000	1	105.7710	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2)(H)2{1|C<4>,2|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	107.7490	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9620	0.000	1	107.8802	0.329	32	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9950	0.000	1	107.8802	0.329	32	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.000	1	107.8802	0.329	32	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9608	0.138	14	107.8802	0.329	32	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7200	0.922	12	107.8802	0.329	32	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0943	0.112	3	107.8802	0.329	32	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9505	0.019	2	107.8128	0.256	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1660	0.000	1	107.8128	0.256	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9367	0.624	3	107.8128	0.256	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6410	0.000	1	107.6410	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2310	0.000	1	108.4288	0.297	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	108.4288	0.297	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8528	0.431	5	108.4288	0.297	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1590	0.000	1	108.4288	0.297	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8565	0.060	2	108.4288	0.297	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]P)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2440	0.000	1	108.2440	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]S)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1560	0.086	2	108.1560	0.007	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6480	0.000	1	106.6480	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]C)(H)2{1|Co<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1530	0.000	1	107.1530	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9683	0.617	15	107.9403	0.302	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8355	0.120	4	107.9403	0.302	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5755	2.584	11	108.5755	6.679	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	97.3157	0.000	1	102.6543	57.002	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.000	1	102.6543	57.002	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8300	0.000	1	107.8300	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]C)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2840	0.000	1	108.2840	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]C)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	108.0510	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]S[6]C)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6827	0.200	4	107.6827	0.040	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5570	0.000	1	108.1024	1.080	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.000	1	108.1024	1.080	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6687	0.068	3	108.1024	1.080	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5740	0.000	1	108.1024	1.080	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]O)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4100	0.000	1	108.1024	1.080	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5110	0.305	2	107.5110	0.093	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5570	0.000	1	107.5570	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]AuH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AuH)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9775	0.155	2	107.9775	0.024	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2070	0.000	1	108.2070	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]Br)(H)2{1|Br<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8170	0.000	1	107.8170	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2305	1.029	6	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8221	0.857	67	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9470	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2820	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.1980	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9545	0.234	2	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.0830	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5540	0.000	1	107.6525	1.335	82	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.000	1	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5960	0.000	1	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.5940	0.000	1	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.107	2	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.000	1	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8720	0.000	1	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9655	0.077	2	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8100	0.062	2	107.2951	2.592	11	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6170	0.069	7	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7130	0.000	1	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5740	0.000	1	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8380	0.088	2	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8865	0.313	2	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5486	1.128	17	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.000	1	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9480	0.221	2	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6119	0.157	12	107.6625	0.512	45	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6111	0.869	116	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4320	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|I<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0859	1.147	8	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0363	3.758	14	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5440	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6235	0.069	2	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6550	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9179	0.824	35	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4410	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8535	0.066	2	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7995	0.100	8	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9345	0.200	2	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0760	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{1|Ru<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.8910	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5480	0.152	56	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5350	0.113	2	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9240	0.000	1	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8120	0.056	4	107.6903	1.259	257	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8595	0.203	2	107.8567	0.021	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8510	0.000	1	107.8567	0.021	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	107.7490	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2590	0.000	1	107.6549	0.073	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5790	0.026	4	107.6549	0.073	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5420	0.000	1	107.6549	0.073	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4670	0.000	1	107.6549	0.073	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.000	1	107.6695	0.036	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5360	0.000	1	107.6695	0.036	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5983	2.148	3	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6500	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7793	0.275	4	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4190	0.095	2	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8035	2.773	2	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9050	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9500	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2550	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7198	0.623	4	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4910	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5570	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5330	0.000	1	107.5262	1.191	22	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8220	0.000	1	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8269	3.355	16	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2100	0.000	1	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6363	0.554	7	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.2360	0.000	1	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.049	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7870	0.000	1	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.000	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7157	0.126	4	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7065	0.214	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5350	0.742	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5820	0.000	1	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2690	0.040	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8675	0.019	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3425	0.745	2	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9243	0.184	3	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0463	1.946	12	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7000	0.000	1	107.8571	4.456	62	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5100	0.007	2	107.5245	1.697	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2308	1.884	4	107.5245	1.697	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7690	0.000	1	107.5245	1.697	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0885	0.247	2	107.5245	1.697	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7075	1.496	2	107.5245	1.697	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.162	4	107.5245	1.697	15	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8570	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6550	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6313	0.239	7	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8327	0.091	6	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0370	0.380	2	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8837	0.040	3	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7170	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0650	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2450	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4350	3.717	4	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3100	0.228	2	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9335	0.151	6	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2500	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6850	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1256	3.261	19	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7500	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9010	0.201	2	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6010	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7725	2.783	4	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7452	0.245	4	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1904	0.923	23	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.6791	3.491	93	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9735	0.183	2	107.6004	0.073	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4902	0.147	5	107.6004	0.073	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7035	0.238	2	107.6004	0.073	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8330	0.000	1	107.6004	0.073	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2835	0.121	2	107.6004	0.073	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2070	0.000	1	107.2070	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7730	0.000	1	107.7730	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3580	0.049	2	107.3580	0.002	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7585	0.330	2	106.9668	2.085	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5240	0.000	1	106.9668	2.085	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.8260	0.000	1	106.9668	2.085	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0350	0.000	1	108.0350	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4510	0.000	1	106.4510	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7400	0.000	1	107.7400	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.000	1	107.7467	0.073	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5905	0.016	2	107.7467	0.073	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.000	1	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9865	0.039	2	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0680	0.146	2	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3080	0.000	1	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8890	0.171	2	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2270	0.000	1	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2225	0.039	2	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9998	0.124	4	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1335	0.111	2	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7400	0.000	1	107.9491	0.084	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.8010	0.000	1	108.9283	6.274	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4920	0.413	2	108.9283	6.274	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7990	0.000	1	107.7990	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7810	0.000	1	107.7810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0500	0.000	1	108.0500	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5880	0.000	1	107.5880	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6763	2.858	4	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5330	0.000	1	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7815	0.172	2	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9403	0.103	3	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{1|Pt<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3855	1.411	4	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9270	0.000	1	107.1118	2.839	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0760	0.000	1	108.0760	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.7570	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9410	0.071	5	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4595	0.049	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1400	0.191	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7248	1.239	40	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8457	0.168	3	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7963	0.200	3	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4688	4.119	4	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0216	0.305	5	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9173	0.185	99	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2060	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8527	0.865	3	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7128	0.094	9	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.6150	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0195	0.788	11	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2205	0.231	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6863	0.099	4	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0908	0.821	5	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9982	0.240	5	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9028	0.192	9	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7156	0.256	5	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0185	0.185	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2170	0.061	4	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7088	0.857	27	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6746	1.464	24	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9412	0.110	8	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9923	1.608	3	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7447	0.067	4	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8025	0.161	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1860	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2270	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6285	0.678	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2700	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9080	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2487	0.032	3	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9225	0.326	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3540	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{1|Te<3>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1605	0.098	2	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9934	0.138	5	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7684	0.230	11	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6780	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8478	1.118	10	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0450	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7550	0.000	1	107.8477	0.741	339	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9900	0.000	1	107.9900	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.7950	4.156	2	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5704	1.140	5	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4730	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.4040	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8180	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0783	2.957	3	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6600	0.047	2	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9190	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2750	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7775	0.877	35	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1632	1.443	10	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4235	1.184	2	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1880	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5083	0.923	4	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6550	2.274	2	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8343	0.157	3	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0667	2.030	4	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7170	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.3290	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6990	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1870	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4140	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7900	0.046	4	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0523	2.961	3	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2530	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6627	1.045	7	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.5950	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.3859	5.292	4	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2340	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0099	1.677	36	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7879	3.915	7	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.6430	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Fe<7>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4860	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8505	0.149	2	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0454	0.129	5	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9870	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3710	0.000	2	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|N<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1897	0.069	3	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	117.6130	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Pt<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0200	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{1|Si<4>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0090	0.000	1	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9000	0.904	25	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9537	0.200	3	107.9749	3.850	197	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7530	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.129	8	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6025	0.764	2	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9680	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1040	0.017	4	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.187	2	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2795	1.492	6	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.4557	2.793	4	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1360	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5389	2.829	27	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4740	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3600	1.936	2	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5810	1.494	4	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4414	1.352	53	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|Li<5>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9000	0.047	2	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1320	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2170	0.000	1	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	113.0750	6.948	2	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8545	0.124	6	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.367	3	108.2273	3.720	135	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7080	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2480	1.021	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7620	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6470	0.082	3	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6365	0.005	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6930	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5648	1.580	6	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1209	1.026	7	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6390	0.000	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3580	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7084	1.325	55	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9829	0.183	12	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2830	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8570	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0800	0.341	3	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9286	0.156	8	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5530	1.878	8	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8670	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1505	2.490	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6791	1.212	20	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0125	0.261	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0030	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2320	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4805	2.816	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0939	0.190	10	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6470	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1210	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7220	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8676	0.505	12	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7188	1.866	55	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4770	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3875	1.586	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8040	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6880	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5300	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1560	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Ni<5>,1|C<5>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5130	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0597	0.204	6	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|P<4>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4960	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5940	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8875	0.596	2	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8302	2.346	10	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3526	1.657	66	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|Cl<1>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7310	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4141	2.761	14	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9720	0.000	1	107.9478	2.371	336	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1103	0.118	8	108.1103	0.014	8	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Pt)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3690	0.000	1	107.3690	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.000	1	109.4520	4.205	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.9020	0.000	1	109.4520	4.205	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]Se)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9060	0.000	1	106.9060	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.4040	0.000	1	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6560	0.000	2	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6840	0.000	1	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Co<6>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9390	0.000	1	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1310	0.000	1	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6610	0.000	1	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|Ir<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6610	0.000	1	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]C)(H)2{1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0900	0.004	2	107.7972	2.503	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3070	0.000	1	108.0056	0.062	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2260	0.000	1	108.0056	0.062	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7750	0.013	2	108.0056	0.062	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]H)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9450	0.000	1	108.0056	0.062	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9903	1.042	4	108.7304	3.975	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7780	0.000	1	108.7304	3.975	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Cu<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0727	3.133	4	108.7304	3.975	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]N)(H)2{1|Fe<6>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2450	0.097	3	108.7304	3.975	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5890	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2090	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8900	0.037	3	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7115	0.166	6	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|F<1>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.0105	4.349	4	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7057	0.094	3	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	123.5795	15.144	2	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7640	0.213	3	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8950	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4457	0.060	3	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7990	0.122	11	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4944	1.903	14	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6170	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4793	0.231	6	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4090	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5780	0.112	2	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8310	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6865	0.040	2	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6597	0.688	19	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4830	0.141	2	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5350	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5210	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{1|Pd<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8540	0.000	1	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8095	0.151	2	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3307	0.239	3	108.1095	9.331	95	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8345	0.069	2	107.8345	0.005	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0380	0.000	1	108.0205	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]C)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0030	0.000	1	108.0205	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1925	0.023	2	108.1925	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1030	0.379	2	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5020	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7470	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7500	0.065	2	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1870	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4222	0.281	5	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3790	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6550	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1930	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0730	0.000	1	107.5346	0.169	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]Ru)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2920	0.000	1	107.2920	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{1|C<3>,1|C<4>,1|W<6>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.197	4	107.8382	0.023	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]O)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8465	0.012	2	107.8382	0.023	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0200	0.000	1	107.7610	0.612	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9965	0.088	2	107.7610	0.612	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0785	0.199	4	107.7610	0.612	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7735	0.482	2	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0176	0.094	7	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2955	0.034	4	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	100.6380	0.000	1	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0550	0.000	1	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.4020	0.000	1	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.1006	9.739	5	106.9738	24.080	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]I)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1350	0.000	1	108.1350	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0235	0.026	2	108.0235	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]O)(H)2{1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3930	0.000	1	108.3930	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.000	1	108.7095	1.340	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5280	0.000	1	108.7095	1.340	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.197	7	107.9168	0.044	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0575	0.381	2	107.9168	0.044	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.062	2	107.9168	0.044	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9080	0.000	1	107.9168	0.044	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6550	0.000	1	107.9168	0.044	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6610	0.000	1	107.9168	0.044	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8897	0.228	3	108.1849	0.257	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|Br<1>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8563	0.029	3	108.1849	0.257	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.028	2	108.1849	0.257	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6630	0.000	1	108.1849	0.257	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.000	1	108.1849	0.257	10	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1808	0.367	4	107.8259	0.460	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3350	0.857	3	107.8259	0.460	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9460	0.000	1	107.8259	0.460	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1300	0.000	2	107.8259	0.460	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.000	1	107.8259	0.460	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,1|W<7>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9950	0.000	2	107.8259	0.460	13	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4880	0.000	1	109.4880	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1640	0.000	1	109.1640	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6250	0.000	1	107.5835	0.003	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5420	0.000	1	107.5835	0.003	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3140	0.060	5	107.3140	0.004	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9350	0.000	1	107.7693	3.864	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6470	0.000	1	107.7693	3.864	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7260	0.000	1	107.7693	3.864	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0810	0.000	1	108.0810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.6330	0.000	1	102.6330	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0990	0.000	1	108.0990	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6920	0.348	2	107.6920	0.121	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HfN)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HfN)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3260	0.065	4	107.3260	0.004	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8563	3.701	4	106.8563	13.694	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4810	0.000	1	110.4810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.5100	0.989	2	105.5100	0.977	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	99.8494	0.000	1	99.8494	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5830	0.000	1	107.5830	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3370	0.000	1	107.6155	0.155	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.000	1	107.6155	0.155	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	118.3010	0.000	1	118.3010	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6a]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0545	0.025	2	108.0545	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1990	0.126	2	108.1990	0.016	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.045	2	108.0553	0.015	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1940	0.000	1	108.0553	0.015	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]S[6]C)(C[6]C[6]C)(H)2{1|Pt<4>,1|S<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8020	0.000	1	106.8020	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5590	0.000	1	106.0445	4.587	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6,6]O)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.5300	0.000	1	106.0445	4.587	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7830	0.000	1	107.7830	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)2{1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3040	0.059	4	107.3040	0.003	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6490	0.098	3	107.6490	0.010	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7380	0.010	2	108.8168	2.611	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7790	0.000	1	108.8168	2.611	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4310	0.000	1	108.8168	2.611	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.3980	0.000	1	108.8168	2.611	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1110	0.000	1	108.1110	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0400	0.000	1	108.0400	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6200	0.000	1	108.8097	1.061	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4045	0.005	2	108.8097	1.061	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7655	0.064	2	107.7655	0.004	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6820	0.000	1	107.6820	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]C)(H)2{1|Se<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.000	1	107.9020	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5580	0.669	2	107.5580	0.447	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8250	0.000	1	107.8963	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8870	0.000	1	107.8963	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.000	1	107.8963	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7030	0.000	1	107.7585	0.006	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8140	0.000	1	107.7585	0.006	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4465	0.050	2	107.6898	0.061	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7955	0.152	2	107.6898	0.061	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	107.6898	0.061	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6720	0.000	1	107.6725	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6730	0.000	1	107.6725	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]Br)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7380	0.000	1	107.7380	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0180	0.000	1	107.7134	0.018	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6658	0.092	4	107.7134	0.018	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6718	0.118	4	107.7134	0.018	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.000	1	107.7134	0.018	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6655	0.008	2	107.7134	0.018	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7356	0.165	7	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7547	0.144	3	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9130	0.000	1	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8917	0.067	3	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8767	0.099	3	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1800	0.000	1	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	107.7636	0.039	19	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7430	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5105	1.298	2	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0400	0.060	4	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6210	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8408	0.150	5	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1025	0.076	2	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2160	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9441	0.125	8	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5380	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6840	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6118	0.128	4	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6947	0.220	3	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7320	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5105	0.238	2	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9140	0.011	2	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4060	0.000	1	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8990	0.278	3	107.8177	0.273	43	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7244	0.202	5	107.7648	0.016	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7100	0.112	2	107.7648	0.016	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7791	0.089	12	107.7648	0.016	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(H)2{3|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9060	0.000	1	107.7648	0.016	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]C)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7360	0.404	2	107.7360	0.164	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6000	0.000	1	108.6000	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7065	0.118	2	107.7065	0.014	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<2>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7455	0.190	6	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6273	0.282	3	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6780	0.016	2	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5130	0.000	1	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7080	1.386	2	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8025	0.442	2	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7620	0.000	1	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4360	0.000	1	107.8024	0.623	18	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.000	1	107.7510	0.052	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5900	0.000	1	107.7510	0.052	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5440	0.000	1	107.4248	0.389	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3950	0.716	4	107.4248	0.389	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]N)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4230	0.000	1	107.4230	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.000	1	107.9540	0.047	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.153	2	107.9540	0.047	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6,6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3580	0.000	1	107.3580	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]C)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5190	0.000	1	107.5190	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7690	1.860	2	106.7690	3.458	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7651	0.172	7	107.7767	0.033	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6180	0.000	1	107.7767	0.033	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.000	1	107.7767	0.033	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8280	0.068	2	106.9709	7.413	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0395	0.033	2	106.9709	7.413	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	100.8140	0.000	1	106.9709	7.413	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4030	0.000	1	106.9709	7.413	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8440	0.000	1	106.9709	7.413	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.000	1	107.8910	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1513	0.257	11	108.1042	0.138	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6960	0.000	1	108.1042	0.138	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1540	0.099	12	108.1042	0.138	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5710	0.000	1	108.1042	0.138	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3797	0.283	3	108.1042	0.138	28	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8250	0.000	1	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7348	0.288	8	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.030	2	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7568	0.197	14	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8336	0.100	8	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.146	3	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|Cl<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0900	0.000	1	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1730	0.000	1	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9645	0.102	4	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6059	0.158	20	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1500	0.000	1	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9975	0.206	11	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9220	0.000	1	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.000	1	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2699	0.148	10	107.7153	0.082	86	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.000	1	107.8160	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.000	1	107.8160	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)2{1|Si<4>,1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7780	0.000	1	107.8160	0.006	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6910	0.000	1	107.6910	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8935	0.132	4	107.8935	0.017	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]S[6]C)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2490	0.000	1	108.2490	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8800	0.140	2	107.8800	0.020	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7625	0.016	2	107.7625	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4400	0.000	1	109.4400	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])(H)2{1|N<3>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9825	0.442	2	107.9825	0.195	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9903	0.155	3	107.9797	0.016	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9480	0.000	1	107.9797	0.016	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]N)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9780	0.189	3	107.9780	0.036	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1054	0.654	20	108.1054	0.427	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9255	0.066	2	107.8174	0.215	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7540	0.000	1	107.8174	0.215	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]C)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7410	0.904	2	107.8174	0.215	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1075	0.159	2	108.1735	0.032	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2395	0.231	2	108.1735	0.032	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8785	0.138	2	107.9848	0.029	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1520	0.072	2	107.9848	0.029	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]O)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8630	0.000	1	107.9848	0.029	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8740	0.000	1	107.8740	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9155	0.050	2	107.8361	0.053	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8083	0.288	3	107.8361	0.053	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{1|Pt<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0140	0.240	2	107.8361	0.053	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]P[6]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6205	0.163	2	107.8361	0.053	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(H)2{2|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7230	0.126	2	107.7230	0.016	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6160	0.000	1	107.6160	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6233	0.685	3	108.6233	0.469	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]O)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6950	0.067	3	107.6950	0.004	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]C[6,6a]O)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5090	0.000	1	107.5090	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]N[5,6]C)(H)2{1|Si<5>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7203	1.743	3	108.7203	3.037	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7825	0.411	2	107.7825	0.169	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2410	0.735	2	106.5420	5.348	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1440	0.000	1	106.5420	5.348	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.9455	0.107	2	106.8992	1.328	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4450	0.000	1	106.8992	1.328	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2610	0.000	1	106.8992	1.328	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6,6]O)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8160	0.000	1	107.8160	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.000	1	108.0620	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1720	0.000	1	108.1720	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6070	0.000	1	107.6070	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7730	0.000	1	107.7730	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6,6]O)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1610	0.192	2	107.1610	0.037	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8670	0.000	1	107.8580	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]O)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8580	0.000	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1330	0.038	2	108.1330	0.001	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6]O)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8380	0.000	1	107.8380	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.000	1	107.8030	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6,6a]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.000	1	107.9150	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2810	0.000	1	107.6173	0.349	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]H)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2855	0.193	2	107.6173	0.349	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1440	0.000	1	108.0102	0.012	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9768	0.093	4	108.0102	0.012	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2410	0.000	1	107.0350	1.261	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8290	0.000	1	107.0350	1.261	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3080	0.000	1	108.3080	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3718	3.231	4	107.7171	2.194	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1980	0.354	2	107.7171	2.194	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9755	0.168	6	107.7171	2.194	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3693	0.862	9	107.7171	2.194	21	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8445	0.125	2	108.0464	0.069	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4910	0.000	1	108.0464	0.069	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9725	0.194	2	108.0464	0.069	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	108.0464	0.069	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2830	0.000	1	108.0464	0.069	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3910	0.000	1	108.3910	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|Br<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9490	0.000	1	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0380	0.000	1	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8580	0.000	1	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9640	1.384	3	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7815	0.217	2	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8705	0.172	2	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8005	0.108	4	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{1|I<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9982	0.137	4	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7320	0.000	1	107.8966	0.632	20	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1950	0.000	1	108.1810	0.107	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2490	0.000	1	108.1810	0.107	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>,1|W<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5050	0.000	1	108.1810	0.107	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5610	0.000	1	108.1810	0.107	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2880	0.130	2	108.1810	0.107	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.8815	5.598	2	111.8815	31.339	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7530	1.665	2	107.1707	1.909	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]2)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0060	0.000	1	107.1707	1.909	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8890	0.000	1	107.7322	4.827	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.031	2	107.7322	4.827	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.1030	0.000	1	107.7322	4.827	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1137	0.076	3	107.7322	4.827	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4785	0.059	2	107.7322	4.827	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]Cl)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1580	0.000	1	108.1580	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|B<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.3410	0.000	1	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9755	2.070	2	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8095	0.193	2	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4590	0.000	1	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2290	0.000	1	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9525	0.021	2	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)2{1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9717	0.124	3	107.7849	1.019	12	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.038	2	108.0657	0.018	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2700	0.000	1	108.0657	0.018	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	108.0657	0.018	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0650	0.000	1	108.0657	0.018	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1820	0.000	1	108.0657	0.018	6	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|S<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0800	0.000	1	107.8314	0.153	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.247	2	107.8314	0.153	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5360	0.000	1	107.8314	0.153	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1860	0.000	1	107.8314	0.153	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.000	1	107.8314	0.153	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7743	0.461	10	107.8314	0.153	16	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0647	0.072	3	108.1178	0.011	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1975	0.108	2	108.1178	0.011	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6490	0.000	1	108.6490	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HN)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6980	0.000	1	107.6980	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HP)(C[6]N[6]N)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	107.8750	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HS)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7395	0.209	2	107.7395	0.044	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1810	0.000	1	108.1810	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9190	0.000	1	107.9353	0.002	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9435	0.056	2	107.9353	0.002	3	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]N[6]C)(H)2{1|In<4>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4670	0.000	1	107.4670	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2067	2.231	3	109.6593	4.516	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0170	0.000	1	109.6593	4.516	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4690	0.000	1	108.1609	0.737	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2522	0.079	6	108.1609	0.737	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2330	1.543	2	108.1609	0.737	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]N)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3850	0.000	1	109.3850	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0023	3.648	4	108.0203	5.009	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9803	0.253	3	108.0203	5.009	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1165	0.043	2	108.0203	5.009	9	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]N[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.000	1	107.7370	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]C)(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	98.8499	0.000	1	98.8499	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CO)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8390	0.000	1	107.8390	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.9600	0.000	1	108.8042	2.068	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.000	1	108.8042	2.068	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0715	0.078	2	108.8042	2.068	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1095	0.059	2	108.1095	0.003	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Br<1>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1985	0.063	2	108.1966	0.010	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3840	0.000	1	108.1966	0.010	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0650	0.000	1	108.1966	0.010	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|C<3>,1|I<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1650	0.000	1	108.1966	0.010	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(H)2{1|Cl<1>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1825	0.028	2	108.1966	0.010	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9450	0.025	2	107.9589	1.599	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4940	0.017	2	107.9589	1.599	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3429	1.700	7	107.9589	1.599	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5860	0.000	1	107.9589	1.599	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CC)(C[6]C[6]O)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7805	0.169	2	107.9589	1.599	14	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]CH)(C[6]C[6]C)(H)2{1|W<6>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3210	0.000	1	107.3210	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)(C[6]B[6]C)(H)2{1|O<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.8820	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CC)(C[6]C[6]O)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6900	0.000	1	107.6900	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2960	0.000	1	109.2960	0.000	1	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|C<4>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1160	0.000	1	108.0284	0.014	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0065	0.122	4	108.0284	0.014	5	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8460	0.000	1	107.1620	0.150	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0108	0.301	4	107.1620	0.150	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6225	0.125	2	107.1620	0.150	7	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6030	0.047	2	107.6683	0.007	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]O)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7335	0.053	2	107.6683	0.007	4	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]SiN)(C[6]C[6]C)(H)2{1|Si<4>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5320	0.076	2	109.5320	0.006	2	107.8413	2.094	3850	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:Ga[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	H(C[6]Ga[6]C[6]H)	H(C[6]Ga[6]C[6]H)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]Ga[6]C[6]H)	H(C[6]Ga[6]C[6]H)	107.6860	0.000	1	107.6860	0.000	1	107.6860	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3490	0.000	1	109.3637	3.281	3	109.3637	3.281	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[5,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[5,6]C[5,6]2)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	109.8710	2.240	2	109.3637	3.281	3	109.3637	3.281	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3620	0.000	1	108.3072	0.024	4	108.3072	0.024	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6,6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(N[6,6]C[6,6]2)(H)2{2|H<1>,2|N<3>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2890	0.185	3	108.3072	0.024	4	108.3072	0.024	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]B[5,6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1105	0.045	2	108.1105	0.002	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]B[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8890	0.290	2	107.8890	0.084	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4280	0.164	2	108.4280	0.027	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]CC)(N[6]C[6,6a]S)(H)2{1|N<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0990	0.000	1	108.0990	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]C[6]H)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6170	0.000	1	106.6170	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0690	0.000	1	108.0690	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9500	0.000	1	108.2392	0.029	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3115	0.064	4	108.2392	0.029	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9760	0.033	2	107.9760	0.001	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3]C[6]O)(N[6]C[6]S)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0970	0.000	1	108.0970	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0705	0.169	10	108.1004	0.087	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4650	0.617	2	108.1004	0.087	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5640	0.000	1	108.1004	0.087	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1535	0.100	2	108.1004	0.087	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8780	0.000	1	107.8780	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9830	0.000	1	107.9830	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0810	0.071	2	108.0810	0.005	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3062	2.039	13	107.6594	5.583	14	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	112.2500	0.000	1	107.6594	5.583	14	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8164	0.918	8	107.8164	0.843	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3010	0.000	1	108.2405	0.007	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1800	0.000	1	108.2405	0.007	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]C[5a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5820	0.000	1	108.5820	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]C[6a]H)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2825	0.081	2	108.2825	0.007	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]C)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8230	0.000	1	107.8230	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[5,6]H)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1080	0.959	2	107.1080	0.919	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8290	0.099	2	107.8522	0.040	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6420	0.000	1	107.8522	0.040	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1090	0.000	1	107.8522	0.040	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3490	0.000	1	108.3490	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6930	0.000	1	107.6930	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[5,6,6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6130	0.000	1	107.6130	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6167	0.083	3	108.0754	1.154	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5340	0.000	1	108.0754	1.154	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.9930	0.000	1	108.0754	1.154	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]S)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0700	0.068	2	108.0700	0.005	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9190	0.000	1	107.8280	0.014	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6550	0.000	1	107.8280	0.014	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8690	0.017	2	107.8280	0.014	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4460	0.000	1	108.1050	0.233	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7640	0.000	1	108.1050	0.233	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	103.4950	0.000	1	103.4950	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[5,6]H)(H)2{5|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4205	0.103	2	107.4205	0.011	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7140	0.000	1	107.8725	0.050	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0310	0.000	1	107.8725	0.050	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6680	0.000	1	107.6680	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]C[6]H)(N[6]N[5a,6]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.0070	0.000	1	107.0070	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[5,6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1060	0.000	1	108.1060	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2380	0.000	1	108.2380	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5190	0.000	1	107.8170	0.178	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1150	0.000	1	107.8170	0.178	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9890	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3260	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1120	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1204	1.249	7	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9790	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1087	0.048	3	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2910	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4850	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1234	0.101	11	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1750	0.023	2	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0000	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3670	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1803	0.093	4	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3720	0.000	1	108.1811	0.328	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2990	0.000	1	108.2990	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]P[6])(H)2{1|C<4>,1|N<3>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1070	0.260	2	108.1070	0.068	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2340	0.068	2	108.2401	0.127	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4510	0.000	1	108.2401	0.127	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7720	0.000	1	108.2401	0.127	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4590	0.000	1	108.2401	0.127	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3972	0.152	4	108.2401	0.127	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4510	0.338	2	108.2401	0.127	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[5,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2575	0.276	2	108.2575	0.076	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.1555	1.340	2	109.6047	1.808	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5030	0.000	1	109.6047	1.808	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.9740	0.000	1	110.9740	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9510	0.000	1	107.9510	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]NN)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6070	0.000	1	108.6070	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5]C[6]H)(N[6]C[6,6a]S)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0790	0.000	1	108.0790	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0220	0.000	1	107.8515	0.058	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6810	0.000	1	107.8515	0.058	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7750	0.245	2	108.0212	0.077	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1853	0.154	3	108.0212	0.077	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5370	0.039	4	107.5370	0.002	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8490	0.000	1	107.9550	0.011	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0080	0.078	2	107.9550	0.011	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]C)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8930	0.000	1	107.8930	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]O)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3260	0.000	1	108.3260	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.4540	0.000	1	107.4073	0.428	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5180	0.000	1	107.4073	0.428	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]C[6a]H)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8285	0.084	2	107.4073	0.428	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0845	0.104	2	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8830	0.000	1	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1805	2.057	4	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1225	0.094	11	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0915	0.104	2	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.8445	0.936	2	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1340	0.000	1	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.6620	0.000	1	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0460	0.000	1	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9385	0.005	2	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0683	0.123	12	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1740	0.000	1	108.2677	0.540	40	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4355	0.244	2	107.7594	0.145	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0640	0.000	1	107.7594	0.145	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2140	0.000	1	107.7594	0.145	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]H)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6480	0.000	1	107.7594	0.145	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]O)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4735	0.050	2	107.4735	0.003	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1520	0.045	2	108.0714	0.054	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2705	0.008	2	108.0714	0.054	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7415	0.045	2	108.0714	0.054	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1720	0.000	1	108.0714	0.054	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4650	0.000	1	107.7055	0.116	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9460	0.000	1	107.7055	0.116	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HN)(N[6]S[6]C)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6650	0.000	1	107.6650	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]C)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5650	0.000	1	107.5650	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0905	0.011	2	108.0178	0.045	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1840	0.000	1	108.0178	0.045	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7060	0.000	1	108.0178	0.045	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|W<7>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0080	0.000	1	108.0080	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2110	0.000	1	108.2110	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CC)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.1575	1.269	2	106.1575	1.611	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]H)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4150	0.000	1	109.4150	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.6810	0.000	1	110.6810	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8610	0.000	1	107.8610	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0445	0.194	2	108.0263	0.020	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9900	0.000	1	108.0263	0.020	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6]H)(N[6]C[6]S)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3000	0.240	2	108.3000	0.058	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6a]2)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9100	0.000	1	107.9100	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1340	0.256	2	108.1340	0.066	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8710	0.000	1	108.7925	4.416	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6810	1.383	2	108.7925	4.416	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.8850	0.000	1	108.7925	4.416	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.6290	0.000	1	108.7925	4.416	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.0080	0.000	1	108.7925	4.416	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]S)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4205	0.062	2	108.4205	0.004	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6285	0.418	4	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0965	0.011	2	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1044	0.092	8	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1410	0.095	5	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0590	0.000	1	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1575	0.056	2	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.0030	0.000	1	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2440	0.040	2	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8808	0.155	5	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1700	0.000	1	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0600	0.163	3	108.0843	0.119	34	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8808	0.352	4	107.8808	0.124	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4330	0.000	1	108.4407	0.373	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1415	0.248	2	108.4407	0.373	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2800	0.000	1	108.4407	0.373	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1830	0.116	2	108.4407	0.373	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9300	1.122	3	108.4407	0.373	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3480	0.262	2	108.4407	0.373	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]S[6]C)(H)2{1|H<1>,2|C<4>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8635	0.074	2	107.8635	0.006	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HO)(N[6]O[6]C)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4240	0.000	1	109.4240	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]NN)(N[6]C[6]N)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4660	0.000	1	108.4660	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7430	0.000	1	107.7430	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CC)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8483	0.171	3	107.8483	0.029	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3410	0.000	1	108.2463	0.033	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2580	0.257	3	108.2463	0.033	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1815	0.132	2	108.2463	0.033	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]O)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1210	0.000	1	108.1210	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4157	0.016	3	108.4157	0.000	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8210	0.000	1	107.8210	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]C)(H)2{1|S<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7730	0.000	1	108.7730	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[5]C[6])(H)2{1|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9150	0.000	1	107.9150	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]H)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1340	0.000	1	108.1340	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8110	0.305	2	107.9762	0.069	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]H)(N[6]C[6]S)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1415	0.066	2	107.9762	0.069	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]C[6a]O)(N[6]C[6a]C[6])(H)2{2|H<1>,6|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.7040	0.000	1	109.7040	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1850	0.000	1	108.1994	0.013	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2940	0.000	1	108.1994	0.013	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1453	0.130	4	108.1994	0.013	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6])(H)2{2|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2675	0.093	2	108.1994	0.013	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2475	0.341	4	108.0824	0.224	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6]C)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4220	0.000	1	108.0824	0.224	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6,6a]C)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1326	0.138	5	108.1326	0.019	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]Au)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]Au)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1040	0.000	1	108.1040	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0512	0.066	4	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1736	0.064	5	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3390	0.000	1	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0630	0.309	22	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.0580	0.000	1	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2370	0.141	3	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0420	0.139	2	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6585	0.207	2	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4138	0.876	13	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1650	0.000	1	108.1206	0.327	54	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]Cu)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]Cu)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8400	0.000	1	107.8400	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2460	0.000	1	108.4813	0.569	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9900	0.000	1	108.4813	0.569	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1580	1.131	2	108.4813	0.569	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1360	0.000	1	108.4813	0.569	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7230	0.000	1	108.4813	0.569	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9580	0.000	1	108.4813	0.569	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4810	0.000	1	109.4893	9.887	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2140	0.573	3	109.4893	9.887	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	112.5090	5.752	2	109.4893	9.887	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]N)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2840	0.000	1	109.4893	9.887	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0860	0.000	1	108.2270	0.040	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3680	0.000	1	108.2270	0.040	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8440	0.000	1	107.9030	1.023	12	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.9470	1.317	2	107.9030	1.023	12	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3442	0.120	9	107.9030	1.023	12	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3034	0.067	5	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8280	0.163	12	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7570	0.000	1	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0673	0.174	4	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2991	1.255	35	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0260	0.072	2	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(H)2{5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1140	0.000	1	108.1686	0.954	60	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HN)(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7325	0.100	2	107.7325	0.010	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BH)(N[6]C[6]S)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6810	0.000	1	107.6810	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BrH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7600	0.000	2	108.7600	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8800	0.158	3	107.8434	0.086	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2920	0.000	1	107.8434	0.086	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8050	0.000	1	107.8434	0.086	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]C)(H)2{1|Pd<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0835	0.209	2	107.8434	0.086	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6285	1.763	2	108.0442	0.553	28	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0738	0.063	21	108.0442	0.553	28	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9747	1.560	3	108.0442	0.553	28	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7535	0.310	2	108.0442	0.553	28	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8145	0.018	2	108.0744	0.073	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4520	0.000	1	108.0744	0.073	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1040	0.000	1	108.0744	0.073	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1870	0.000	1	108.0744	0.073	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CC)(N[6]P[6]H)(H)2{1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2484	0.612	7	108.2484	0.374	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4720	0.000	1	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7570	0.266	2	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2080	0.000	1	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9750	0.101	3	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0340	0.030	3	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9467	0.164	4	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9070	0.198	5	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9621	0.236	11	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0360	0.000	1	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1765	0.033	2	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7750	0.124	3	107.9400	0.044	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9490	0.000	1	107.9490	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1670	0.055	2	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1330	0.000	1	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4790	0.000	1	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0740	0.280	4	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2600	0.000	1	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7232	0.029	4	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2858	0.068	4	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1160	0.000	1	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0255	0.081	2	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9160	0.000	1	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9912	0.159	5	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3139	0.111	7	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8957	0.096	4	108.0907	0.054	37	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5470	0.000	1	107.5470	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9450	0.000	1	107.9890	0.004	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0330	0.000	1	107.9890	0.004	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1400	0.000	1	108.1400	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2790	0.000	1	108.3145	0.003	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3500	0.000	1	108.3145	0.003	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9490	0.030	2	107.9490	0.001	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1610	0.000	1	108.1610	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]ClH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4780	0.000	1	108.4780	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1600	0.000	1	108.1600	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5560	0.000	1	108.5560	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1255	0.032	2	108.1568	0.002	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1880	0.049	2	108.1568	0.002	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7890	0.000	1	107.7890	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2420	0.000	1	108.2420	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.9430	0.000	1	105.2407	7.957	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6440	0.000	1	105.2407	7.957	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	102.1350	0.000	1	105.2407	7.957	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0470	0.082	2	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0763	0.123	8	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2048	0.117	10	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.6140	1.464	2	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9050	0.000	1	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1703	0.087	3	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8792	1.508	4	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9435	0.107	2	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3850	0.000	1	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.4930	0.000	1	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1197	0.051	3	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9430	0.000	1	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0198	0.086	4	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8260	0.093	2	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9090	0.808	3	108.1583	0.440	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7970	0.064	2	107.8107	0.002	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Al)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8245	0.030	2	107.8107	0.002	4	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]B)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0925	0.011	2	108.0925	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9890	0.107	3	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9390	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0310	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8690	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.3750	0.165	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1290	0.116	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0270	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0670	0.125	10	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9283	0.023	3	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2147	1.051	46	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0870	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0571	0.068	9	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9555	0.047	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9817	0.991	19	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0026	0.332	11	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0510	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1230	0.068	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2040	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1082	2.297	4	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1020	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5640	0.806	3	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4190	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.7910	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4642	0.661	10	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1740	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2620	0.988	43	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1451	0.353	38	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9457	0.200	39	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2448	0.572	26	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8405	0.035	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9145	0.231	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2777	1.284	515	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9210	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1245	0.045	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.1140	0.877	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1180	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ir<6>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2460	0.044	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0844	0.194	8	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8838	0.249	20	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0652	0.202	25	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3390	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1980	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1232	0.134	15	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5770	0.772	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	112.3145	3.286	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4915	0.036	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8970	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4275	1.978	2	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5110	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2110	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1173	0.105	11	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Rh<6>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1800	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|Ru<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2109	0.078	7	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7770	0.005	3	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4590	0.000	1	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0686	0.824	107	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]C)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1484	0.287	12	108.2199	1.133	1033	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Co)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Co)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0370	0.000	1	108.0370	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Cr)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9760	0.119	2	107.9760	0.014	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Fe)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7570	0.063	3	107.7570	0.004	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2180	0.010	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0152	0.291	12	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6625	2.297	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6180	0.044	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3124	1.275	5	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2060	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2452	0.079	4	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3116	0.399	43	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3220	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.6780	4.916	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5193	2.253	30	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2360	0.057	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6831	1.504	25	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0367	0.221	3	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5812	1.001	12	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0940	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7168	0.112	6	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8820	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2360	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,1|S<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3460	0.017	3	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5600	1.148	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0038	0.917	17	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7327	0.848	4	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0245	0.278	2	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.1560	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1361	0.188	19	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(H)2{2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2170	0.000	1	108.3328	1.556	204	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1225	0.544	2	108.1440	0.149	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ir)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1870	0.000	1	108.1440	0.149	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Mo)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Mo)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7625	0.011	2	107.7625	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2930	0.000	1	108.2780	0.099	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3510	0.158	2	108.2780	0.099	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0545	0.121	2	108.2780	0.099	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3188	0.325	20	108.2780	0.099	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]N)(H)2{1|S<1>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7470	0.000	1	108.2780	0.099	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Ni)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6640	0.000	2	107.6640	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4840	0.000	1	109.4840	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5968	0.824	39	108.4945	0.623	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0705	0.457	2	108.4945	0.623	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2040	0.000	1	108.4945	0.623	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]P)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9242	0.201	5	108.4945	0.623	47	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2570	0.000	1	108.0227	0.071	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Pd)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9055	0.243	2	108.0227	0.071	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8860	0.065	6	107.8918	0.008	12	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7730	0.000	1	107.8918	0.008	12	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Re)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9224	0.103	5	107.8918	0.008	12	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Rh)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Rh)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2950	0.000	1	107.2950	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0360	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9940	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9820	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9350	0.102	2	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2837	0.160	13	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9415	0.107	2	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2990	0.209	2	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.8870	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1297	0.110	3	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3203	0.171	6	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8560	0.008	2	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7840	1.300	13	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0560	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2910	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5400	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7525	0.062	2	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5230	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.0010	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0447	0.234	4	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9485	0.548	6	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]S)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1940	0.000	1	108.0944	0.423	65	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Si)(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0810	0.000	1	108.0810	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0080	0.000	1	106.8527	2.208	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7780	0.263	2	106.8527	2.208	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.8507	1.567	3	106.8527	2.208	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0265	0.158	6	108.0250	0.016	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0100	0.027	2	108.0250	0.016	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]C)(H)2{1|O<2>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0460	0.000	1	108.0250	0.016	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1030	0.000	1	108.1575	0.006	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]P[6]H)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2120	0.000	1	108.1575	0.006	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]S[6]C)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9600	0.000	1	107.9600	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HI)(N[6]C[6]C)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.8985	0.105	2	109.8985	0.011	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HI)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4720	0.098	2	109.4720	0.010	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2740	0.000	1	108.6375	0.704	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.6170	0.689	2	108.6375	0.704	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1057	0.269	3	108.6375	0.704	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]2)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1400	6.558	2	108.1400	43.004	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0020	0.000	1	109.4524	5.539	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6375	0.117	2	109.4524	5.539	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0950	0.000	1	109.4524	5.539	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	114.2990	0.000	1	109.4524	5.539	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.4747	1.576	3	109.4524	5.539	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9770	0.000	1	109.4524	5.539	9	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2363	0.134	31	108.2966	1.871	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4667	2.642	3	108.2966	1.871	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4755	6.739	2	108.2966	1.871	36	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8220	0.000	1	107.8085	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7950	0.000	1	107.8085	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8980	0.918	5	107.9773	0.354	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0210	0.000	1	107.9773	0.354	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0478	0.163	5	107.9773	0.354	11	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HS)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2830	0.107	2	108.2830	0.012	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HS)(N[6]S[6]C)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1690	0.000	1	108.1690	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2830	0.000	1	108.2960	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HW)(N[6]C[6]C)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3090	0.000	1	108.2960	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]MoH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7610	0.065	2	107.7610	0.004	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]NN)(N[6]C[6]N)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2520	0.105	2	108.2520	0.011	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]N[5]H)(N[6]C[6]C)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6200	0.000	1	106.6200	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]OO)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3140	0.000	1	108.3140	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]C)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9820	0.000	1	107.9820	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3680	0.000	1	108.1870	0.066	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]SiH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0060	0.000	1	108.1870	0.066	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]2C[6])(N[6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9240	0.000	1	107.9240	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8765	0.200	2	107.8765	0.040	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]Nb[6]Si)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4390	0.000	1	109.4390	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1670	0.260	2	109.1670	0.068	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1510	0.000	1	108.1510	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(H)2{2|C<2>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0465	0.070	2	108.0465	0.005	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2650	0.000	1	108.2650	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2820	0.000	1	109.0371	2.912	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	112.7480	0.000	1	109.0371	2.912	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4320	0.000	1	109.0371	2.912	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1517	0.267	3	109.0371	2.912	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3430	0.000	1	109.0371	2.912	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1060	0.000	1	108.1060	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1500	0.000	1	107.8495	0.181	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6,6a]S)(H)2{5|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5490	0.000	1	107.8495	0.181	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]O)(N[6]C[6]S)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3141	0.218	7	108.3141	0.048	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8200	0.000	1	107.8200	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8420	0.000	1	108.0693	0.551	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1110	0.000	1	108.0693	0.551	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8410	0.000	1	108.0693	0.551	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3360	1.578	2	108.0693	0.551	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9500	0.000	1	108.0693	0.551	6	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9440	0.000	1	107.8785	0.009	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]S)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8130	0.000	1	107.8785	0.009	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0940	0.102	2	108.0940	0.010	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1860	0.025	2	108.1860	0.001	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]C)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2410	0.000	1	108.2410	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]S)(H)2{4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1230	0.000	1	108.1230	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9910	0.000	1	108.1595	0.037	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2853	0.154	4	108.1595	0.037	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0180	0.000	1	108.1595	0.037	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2280	0.000	1	108.1595	0.037	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]S)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8980	0.000	1	108.1595	0.037	8	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]N[6]C)(H)2{3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	102.8380	0.000	1	102.8380	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(H)2{1|N<2>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3180	0.000	1	108.3180	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2790	0.000	1	108.2760	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6,6]HH)(N[6]C[6,6]H)(H)2{1|Ge<3>,1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2730	0.000	1	108.2760	0.000	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]C[6a]H)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9130	0.000	1	107.9130	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1130	0.000	1	108.1130	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.5830	0.000	1	111.5830	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]Ge[6]C)(H)2{2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6940	0.049	2	107.6940	0.002	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]O[5,6]C)(H)2{1|Ga<4>,1|In<5>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3190	0.607	2	107.3190	0.368	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0710	0.000	1	108.0710	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]C[6a]H)(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8800	0.000	1	107.8800	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.0790	0.000	1	109.4095	5.574	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7400	0.000	1	109.4095	5.574	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a,6]HH)(N[6]C[6a]C[6])(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1260	0.000	1	108.1260	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5a]C[6]H)(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8130	0.000	1	107.8130	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8720	0.000	1	107.8720	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6]H)(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.7300	3.391	2	106.7300	11.501	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6,6a]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9260	0.000	1	107.9260	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.6240	0.000	1	111.6240	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6a]CH)(N[6]C[6]C)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2620	0.000	1	108.2620	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6,6a]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1510	0.000	1	108.1510	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.2050	0.000	1	110.7185	0.527	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CC)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.2320	0.000	1	110.7185	0.527	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1115	0.066	2	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2903	0.048	4	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2410	0.000	1	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0000	0.000	1	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9830	0.000	1	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0390	0.000	1	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6993	0.082	3	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9420	0.000	1	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2820	0.000	1	107.9979	0.088	15	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2040	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1730	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1700	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0000	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6350	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7970	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1950	0.000	1	108.0249	0.051	7	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9630	0.000	1	107.9630	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0130	0.247	2	108.1532	0.035	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3330	0.000	1	108.1532	0.035	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2260	0.000	1	108.1532	0.035	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1810	0.000	1	108.1532	0.035	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7780	0.000	1	107.7780	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<2>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0460	0.000	1	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0800	0.205	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8510	0.000	1	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1450	0.057	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1620	0.011	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1375	0.302	4	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0780	0.038	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8910	0.000	1	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7954	0.753	8	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2340	0.000	1	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1385	0.097	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0855	0.006	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2)(H)2{2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7940	4.006	2	108.3300	0.819	30	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2065	0.088	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Al<7>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1720	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Bi<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0325	0.058	10	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8441	1.144	7	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8450	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.1640	5.525	3	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4015	1.134	44	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3485	0.049	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1576	0.601	543	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.6330	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5950	1.424	7	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1200	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8680	0.672	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0351	0.100	10	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0210	0.092	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1960	0.023	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0922	0.030	6	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0483	0.092	19	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|V<7>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9770	0.031	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	104.0395	2.245	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2807	0.358	11	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2720	0.605	54	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Co<6>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8890	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2650	0.090	4	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0970	0.096	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1270	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9320	0.040	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Ni<6>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7460	0.000	1	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1470	0.049	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2180	0.130	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0760	0.079	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1210	0.115	3	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Sb<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0137	0.052	7	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1070	0.011	2	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2802	0.810	476	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1739	0.371	68	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]C)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3250	0.509	7	108.2101	0.584	1312	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	104.0070	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0835	0.288	33	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.3330	1.990	2	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3223	0.184	3	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2980	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4734	2.284	65	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2082	0.594	27	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Cd<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8590	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Co<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7250	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2190	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.1680	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5340	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3305	0.018	2	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1940	0.638	3	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]H)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4180	0.000	1	108.3024	2.660	143	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3870	0.000	1	108.1917	0.016	21	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0900	0.000	1	108.1917	0.016	21	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1030	0.000	1	108.1917	0.016	21	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1702	0.134	13	108.1917	0.016	21	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]N)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2466	0.081	5	108.1917	0.016	21	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]Ni)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]Ni)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6950	0.000	1	108.6950	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2460	0.079	14	108.2143	0.013	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]P)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9925	0.047	2	108.2143	0.013	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7829	1.184	14	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2120	0.000	1	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1650	0.240	2	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3265	0.073	2	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7807	0.751	3	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0110	0.000	1	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5245	0.101	2	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9740	0.000	1	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3301	0.118	16	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]S)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4670	0.000	1	108.4251	0.557	43	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]Zn)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8730	0.000	1	107.8730	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]O[6]C)(H)2{1|Ga<4>,1|C<4>,1|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9380	0.000	1	107.9380	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HO)(N[6]C[6]C)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.1850	0.000	1	110.1850	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6a]O[6]H)(N[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9720	0.000	1	107.9720	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CC)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7345	0.036	2	107.7345	0.001	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CC)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3570	0.000	1	108.3570	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2064	0.149	5	108.2064	0.022	5	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2100	0.000	1	108.0560	0.047	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9020	0.000	1	108.0560	0.047	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1873	0.077	3	108.4166	0.301	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2888	0.192	6	108.4166	0.301	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4400	0.000	1	108.4166	0.301	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3212	0.308	5	108.4166	0.301	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]S)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.3240	0.000	1	108.4166	0.301	16	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CO)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9520	0.000	1	107.9520	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2147	0.037	3	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2120	0.000	1	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3125	0.063	2	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,1|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	98.8361	0.000	1	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2820	0.000	1	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4564	0.261	8	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5935	0.455	2	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2118	0.136	5	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2490	0.000	1	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4591	0.441	11	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2390	0.034	7	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2435	0.104	2	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]2)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1774	0.115	7	108.1803	1.913	51	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1593	0.048	3	108.3303	1.705	624	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2290	0.000	1	108.3303	1.705	624	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3312	1.311	619	108.3303	1.705	624	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]C)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3690	0.000	1	108.3303	1.705	624	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7000	0.000	1	108.0395	0.147	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8830	0.000	1	108.0395	0.147	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0602	0.391	24	108.0395	0.147	26	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]N)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2669	0.122	19	108.2669	0.015	19	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]P)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1842	0.117	46	108.1842	0.014	46	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]Ru)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.7950	0.211	2	109.7950	0.044	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4104	0.163	14	108.4104	0.027	14	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]P[6]HH)(N[6]C[6]C)(H)2{1|Fe<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7621	0.227	14	107.7621	0.051	14	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0270	0.011	3	108.0270	0.000	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3592	2.220	17	108.3592	4.930	17	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5430	0.000	1	107.8963	0.094	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]H)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0730	0.006	2	107.8963	0.094	3	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]S)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8300	0.132	2	107.8300	0.017	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]Se[6]HH)(N[6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4265	0.070	2	108.4265	0.005	2	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]Se[6]HH)(N[6]C[6]C)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8290	0.000	1	107.8290	0.000	1	108.2229	1.028	4733	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Ca)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Ca)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0187	0.154	22	108.0187	0.024	22	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	110.4728	3.703	17	110.4728	13.711	17	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(O[6]C[6]Mo)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]C[6]HH)(O[6]C[6]Mo)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1097	0.073	10	108.1097	0.005	10	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6]In)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2290	0.000	1	108.2290	0.000	1	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Cu)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Cu)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.0062	0.155	5	108.0062	0.024	5	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1242	0.073	5	108.0497	0.020	7	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Li)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	107.8635	0.046	2	108.0497	0.020	7	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2138	0.068	10	108.1996	0.004	14	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|Mg<4>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2000	0.054	2	108.1996	0.004	14	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mg)(H)2{1|Mg<5>,1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.1285	0.018	2	108.1996	0.004	14	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]Mn)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]Mn)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2690	0.467	2	108.2690	0.218	2	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:O[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(O[6]C[6]W)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]O[6]HH)(O[6]C[6]W)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	119.2000	0.000	1	119.2000	0.000	1	108.7429	5.219	79	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]CH)(S[6]N[6]O)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9030	0.000	1	107.9030	0.000	1	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<2>,1|S<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	112.0540	0.188	4	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1160	0.000	1	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	112.5345	1.375	2	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|S<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7050	0.000	1	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9210	0.143	2	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.9447	3.506	3	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]O)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.5950	0.021	2	109.7981	6.292	15	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]Pd)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]Pd)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8650	0.018	2	107.8650	0.000	2	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2{1|S<2>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2755	0.278	2	107.9578	2.476	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]Rh)(H)2{1|S<3>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	106.6400	0.636	2	107.9578	2.476	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HN)(S[6]C[6]O)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2435	0.090	2	108.2435	0.008	2	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]O[6]H)(S[6]C[6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1735	0.216	2	108.1735	0.047	2	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(S[6]C[6,6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6a]O[6]O)(S[6]C[6,6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.4870	0.000	1	107.4870	0.000	1	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]CH)(S[6]C[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8430	0.254	3	107.8430	0.065	3	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]B)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]B)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2100	0.115	2	108.2100	0.013	2	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]O)(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.4100	0.000	1	108.4100	0.000	1	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Os)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.4020	0.448	3	109.4020	0.201	3	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Pd)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Pd)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2490	0.083	4	108.2490	0.007	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]Ru)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1910	0.104	4	108.1910	0.011	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Cu)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Cu)(H)2{1|Cu<5>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8035	0.213	2	107.8035	0.045	2	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Ir)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Ir)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.3725	0.069	4	109.3725	0.005	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Mo)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Mo)(H)2{1|Mo<9>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.3822	0.113	4	107.3822	0.013	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]O)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.7518	2.320	16	108.7518	5.381	16	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Pt)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Pt)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8680	0.000	1	107.8680	0.000	1	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	C[6]-4:S[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]Ru)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]Ru)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2710	0.457	4	109.2710	0.209	4	108.7025	2.985	75	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	H(C[6]Ge[3,6]C[6]H)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Br<1>,2|Si<4>,2|C<4>}	H(C[6]Ge[3,6]C[6]H)	H(C[6]Ge[3,6]C[6]H)	108.0715	0.011	2	107.6725	0.100	6	107.6725	0.100	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	H(C[6]Ge[3,6]C[6]H)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{1|Cl<1>,2|Si<4>,2|C<4>}	H(C[6]Ge[3,6]C[6]H)	H(C[6]Ge[3,6]C[6]H)	107.5300	0.033	2	107.6725	0.100	6	107.6725	0.100	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Ge[3,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2	H(C[6]Ge[3,6]C[6]H)	H(C[6]Ge[3,6]C[6]H)	C[6](Ge[3,6]Ge[3,6]Ge[3]Si)(C[6]C[6]C)(H)2{2|Si<4>,1|I<1>,2|C<4>}	H(C[6]Ge[3,6]C[6]H)	H(C[6]Ge[3,6]C[6]H)	107.4160	0.103	2	107.6725	0.100	6	107.6725	0.100	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]N[5,5,6]C[6,6a]H)	H(C[6]N[5,5,6]C[6,6a]H)	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	H(C[6]N[5,5,6]C[6,6a]H)	H(C[6]N[5,5,6]C[6,6a]H)	107.4660	0.272	2	107.4660	0.074	2	107.5717	0.070	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]N[5,5,6]C[6,6a]H)	H(C[6]N[5,5,6]C[6,6a]H)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,5,6]C[6,6a]H)	H(C[6]N[5,5,6]C[6,6a]H)	107.7830	0.000	1	107.7830	0.000	1	107.5717	0.070	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]N[5,6,6]C[6,6a]H)	H(C[6]N[5,6,6]C[6,6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	H(C[6]N[5,6,6]C[6,6a]H)	H(C[6]N[5,6,6]C[6,6a]H)	107.3820	0.226	6	107.3820	0.051	6	107.3820	0.051	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	109.9637	0.604	3	109.9637	0.365	3	108.3332	1.057	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.9810	0.000	1	107.9810	0.000	1	108.3332	1.057	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8515	0.168	4	107.8515	0.028	4	108.3332	1.057	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.7090	0.075	2	107.7090	0.006	2	108.3332	1.057	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.8400	0.000	1	107.8400	0.000	1	108.3332	1.057	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	H(C[6]C[6,6a]N[5,6]H)	107.4620	0.000	1	107.4620	0.000	1	108.3332	1.057	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]C)(H)2{4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3463	0.907	44	108.3463	0.823	44	108.3463	0.823	44	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	H(C[6]C[6,6a]N[6,6]H)	108.0390	0.141	3	108.0390	0.020	3	108.0390	0.020	3	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]H)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9693	0.100	4	107.9693	0.010	4	107.9693	0.010	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]C)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	102.9710	0.000	1	102.9710	0.000	1	106.5327	5.664	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	C[6](N[6,6]C[6,6]C[6]H)(N[6]C[6]2)(H)2{2|C<4>,2|N<3>,7|H<1>}	H(C[6]N[6,6]N[6]H)	H(C[6]N[6,6]N[6]H)	107.7200	0.196	3	107.7200	0.038	3	106.5327	5.664	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9483	0.168	3	107.8320	0.073	4	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4830	0.000	1	107.8320	0.073	4	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]N[6]O)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.3120	0.000	1	109.3120	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CC)(C[6]O[6]N)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.3670	0.000	1	107.3670	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9947	0.129	6	107.9947	0.017	6	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]N[6]H)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8670	0.000	1	107.8670	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CH)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8380	0.000	1	107.8380	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2610	0.000	1	107.2610	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9100	0.072	2	107.9100	0.005	2	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5060	0.000	1	109.5060	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]C[6]N)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3280	0.000	1	108.3280	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	122.2630	0.000	1	111.5320	230.309	2	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]H)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	100.8010	0.000	1	111.5320	230.309	2	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5210	0.000	1	108.1355	0.755	2	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HH)(C[6]N[6]O)(H)2{4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7500	0.000	1	108.1355	0.755	2	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]HS)(C[6]C[6]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9330	0.000	1	107.9330	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]O)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]O)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.2200	0.000	1	107.2200	0.000	1	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]O[6]PtH)(C[6]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]O[6]PtH)(C[6]C[6]H)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4225	0.156	2	109.4225	0.024	2	108.3677	10.100	27	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]CC)(N[6]C[6,6a]C)(H)2{3|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.2130	0.000	1	108.2130	0.000	1	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6,6a]RuC)(N[6]C[6,6a]C)(H)2{3|C<3>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	109.5260	0.000	1	109.5260	0.000	1	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Al<4>,1|N<3>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.9970	0.000	1	108.0420	0.003	3	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.0270	0.000	1	108.0420	0.003	3	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)(N[6]C[6]C)(H)2{1|Si<4>,1|N<3>,3|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1020	0.000	1	108.0420	0.003	3	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]CH)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	112.0020	5.872	2	112.0020	34.478	2	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.8090	0.000	1	108.3437	0.215	3	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]CuC)(N[6]C[6]C)(H)2{1|N<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.6110	0.030	2	108.3437	0.215	3	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	N[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]NiC)(N[6]C[6]C)(H)2{1|C<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	103.9740	2.464	2	103.9740	6.069	2	108.2373	9.772	12	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[4,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[4,6]P[4,6]C[4]W)(C[6]C[6]C)(H)2	H(C[6]P[4,6]C[6]H)	H(C[6]P[4,6]C[6]H)	C[6](P[4,6]P[4,6]C[4]W)(C[6]C[6]C)(H)2{1|W<6>,2|H<1>,3|C<4>}	H(C[6]P[4,6]C[6]H)	H(C[6]P[4,6]C[6]H)	107.3143	0.138	4	107.3143	0.019	4	107.3143	0.019	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]O[5]S)(C[6]C[6]C)(H)2{2|C<4>,3|C<3>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	107.9610	0.000	1	107.9610	0.000	1	108.2416	0.028	5	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6a]C[5,6]S)(C[6]C[6]C)(H)2{1|H<1>,1|S<2>,2|C<3>,2|C<4>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	108.2140	0.000	1	108.2140	0.000	1	108.2416	0.028	5	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[5,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5]2N[6])(C[6]C[6]C)(H)2{1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	108.3443	0.027	3	108.3443	0.001	3	108.2416	0.028	5	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]Mo)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]Mo)(C[6]C[6]C)(H)2{1|Mo<6>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.7757	0.287	11	107.7757	0.082	11	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]N)(C[6]C[6]C)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.9825	0.200	6	107.9825	0.040	6	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]Ni)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]Ni)(C[6]C[6]C)(H)2{1|Ni<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.3074	0.160	7	107.3074	0.026	7	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	108.4185	0.067	2	108.2313	0.107	3	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]O)(C[6]C[6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.8570	0.000	1	108.2313	0.107	3	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]S)(C[6]C[6]C)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	108.1718	0.133	4	108.1718	0.018	4	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|C<4>,3|H<1>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	106.4780	0.000	1	107.4686	0.365	5	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]C)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.7163	0.279	4	107.4686	0.365	5	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]H)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]P[6,6]C[6]W)(C[6]C[6]H)(H)2{1|C<3>,1|W<6>,2|H<1>,3|C<4>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.7650	0.000	1	107.7650	0.000	1	107.7586	0.178	37	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Cu)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	107.5710	0.092	2	107.5710	0.008	2	107.6458	0.032	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Mo)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	107.6310	0.262	2	107.6310	0.068	2	107.6458	0.032	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6,6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Pt)(N[6]C[6]C)(H)2{2|N<3>,6|H<1>}	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	107.7355	0.231	2	107.7355	0.053	2	107.6458	0.032	6	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]B[5,6]CC)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.4820	0.000	1	107.4820	0.000	1	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]B[6]CC)(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.3860	0.000	1	107.3860	0.000	1	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6]C[6a]2)(C[6]C[6]C)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	109.0420	0.000	1	109.0420	0.000	1	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]CW)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6]CW)(C[6]C[6]C)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.6830	0.000	1	107.6830	0.000	1	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.6660	0.972	2	107.6660	0.944	2	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]C)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.1330	0.000	1	108.1330	0.000	1	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]S[6]W)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]S[6]W)(C[6]C[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.1740	0.000	1	108.1740	0.000	1	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{1|P<3>,1|P<4>,3|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.3480	0.119	2	107.2530	0.034	3	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]N[6]2Mo)(C[6]C[6]C)(H)2{2|P<4>,3|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.0630	0.000	1	107.2530	0.034	3	107.7265	0.397	11	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(N[6]C[6]C)(H)2{1|Fe<10>,1|H<1>,3|C<4>,4|C<3>}	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	108.5600	0.000	1	108.5600	0.000	1	108.0892	0.054	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	C[6](P[6]C[6]PdC)(N[6]C[6]C)(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	108.1110	0.000	1	108.1110	0.000	1	108.0892	0.054	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	C[6](P[6]C[6]Pt2)(N[6]C[6]C)(H)2{1|N<3>,3|H<1>}	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	108.0189	0.170	7	108.0189	0.029	7	108.0892	0.054	9	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:P[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]P[6]CS)(P[6]P[6]C)(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]P[6]CS)(P[6]P[6]C)(H)2{1|S<1>,3|C<4>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	107.5295	6.112	2	107.5295	37.351	2	102.9750	69.073	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	P[6]-4:P[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]P[6]SeC)(P[6]P[6]C)(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]P[6]SeC)(P[6]P[6]C)(H)2{1|Se<1>,3|C<4>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	98.4205	9.322	2	98.4205	86.896	2	102.9750	69.073	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]OO)(C[6]C[6]C)(H)2{4|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.7455	0.166	2	107.7455	0.028	2	107.8705	0.042	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]OO)(C[6]C[6]H)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8610	0.000	1	107.8610	0.000	1	107.8705	0.042	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	S[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]OO)(C[6]C[6]O)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1300	0.000	1	108.1300	0.000	1	107.8705	0.042	4	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Si[6,6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2	H(C[6]Si[6,6]C[6]H)	H(C[6]Si[6,6]C[6]H)	C[6](Si[6,6]C[6]N[6]2)(C[6]N[6]C)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]Si[6,6]C[6]H)	H(C[6]Si[6,6]C[6]H)	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Si[6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]Si[6]H)	H(C[6]C[6,6a]Si[6]H)	109.4570	0.000	1	109.4570	0.000	1	109.4570	0.000	1	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6,6]C[6a]H)(C[6]C[6]C)(H)2{2|C<4>,4|C<3>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.8110	0.000	1	108.8110	0.000	1	109.1460	0.224	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Si[6]-4:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]SiO)(C[6]C[6]C)(H)2{1|Si<4>,1|N<3>,2|C<4>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	109.4810	0.000	1	109.4810	0.000	1	109.1460	0.224	2	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]C[6]C)(H)2{1|Si<4>,2|H<1>}	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	108.0048	0.184	6	108.0048	0.034	6	108.0454	0.040	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:3:1:1:	4:	4:	Si[6]-4:N[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CC)(N[6]N[6]C)(H)2{1|C<3>}	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	108.2890	0.000	1	108.2890	0.000	1	108.0454	0.040	7	108.0275	1.704	11236	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	As[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2	H(C[6]As[6]C[6]H)	H(C[6]As[6]C[6]H)	C[6](As[6]Ga[6]CC)(C[6]C[6]CC)(H)2{1|As<4>,2|Cl<1>,2|H<1>}	H(C[6]As[6]C[6]H)	H(C[6]As[6]C[6]H)	106.9655	0.216	2	106.9655	0.047	2	106.9655	0.047	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]B[5,6]C[6]H)	H(C[6]B[5,6]C[6]H)	C[6](B[5,6]N[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]B[5,6]C[6]H)	H(C[6]B[5,6]C[6]H)	105.9350	0.000	1	105.9350	0.000	1	105.9350	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6,6]N[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]B[6,6]C[6]H)	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]B[6,6]C[6]H)	H(C[6]B[6,6]C[6]H)	107.6945	0.009	2	107.6945	0.000	2	107.6303	0.012	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]B[6,6]C[6]H)	H(C[6]B[6,6]C[6]H)	C[6](B[6,6]N[6]O[6]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]B[6,6]C[6]H)	H(C[6]B[6,6]C[6]H)	107.5020	0.000	1	107.5020	0.000	1	107.6303	0.012	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	C[6](B[6]C[6a]2C[6])(C[6,6]C[6]3)(H)2{7|C<3>,7|H<1>}	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	107.6990	0.000	1	107.6990	0.000	1	107.6990	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.1960	0.000	1	107.1960	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Ir<10>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.9250	0.000	1	107.9577	0.001	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]C[6]HH)(H)2{1|Zr<15>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.9740	0.000	2	107.9577	0.001	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[5,6]C[6a]2)(C[6]P[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6790	0.000	1	107.6790	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6,6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.5690	0.000	1	107.5690	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6930	0.000	1	107.6930	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.4460	0.000	1	108.0960	0.245	2	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.7460	0.000	1	108.0960	0.245	2	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]CH)(H)2{1|H<1>,7|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.9580	0.000	1	107.9580	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.9070	0.000	1	107.6332	0.117	6	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.4718	0.300	4	107.6332	0.117	6	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HH)(H)2{1|P<3>,7|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.0050	0.000	1	107.6332	0.117	6	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.1280	0.000	1	107.1280	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2N[6])(C[6]P[6,6]HH)(H)2{1|C<4>,7|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6380	0.000	1	107.6380	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[5]C[6]H)(H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.1130	0.000	1	108.1130	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]CH)(H)2{6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6340	0.000	1	107.6340	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.1850	0.000	1	108.1850	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HP)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.3135	0.200	2	108.3135	0.040	2	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,1|S<3>,5|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.2210	0.208	2	107.2340	0.022	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.2600	0.000	1	107.2340	0.022	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]CH)(H)2{1|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.7760	0.000	1	107.7760	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6825	0.049	2	107.6877	0.001	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2O[6])(C[6]P[6]HH)(H)2{1|N<3>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6980	0.000	1	107.6877	0.001	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2P[6])(C[6]C[5,6]HH)(H)2{1|Fe<10>,2|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6a]2S[6])(C[6]P[6,6]HH)(H)2{1|C<4>,6|C<3>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	106.8390	0.000	1	106.8390	0.000	1	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	105.4150	0.000	1	103.8040	16.912	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	99.1300	0.000	1	103.8040	16.912	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	106.8670	0.000	1	103.8040	16.912	3	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]N[6]OO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	104.2765	0.218	2	104.2765	0.048	2	107.1959	2.726	37	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2	H(C[6]B[6]N[6]H)	H(C[6]B[6]N[6]H)	C[6](B[6]N[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]B[6]N[6]H)	H(C[6]B[6]N[6]H)	108.5630	0.000	1	108.5630	0.000	1	108.5630	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Cr<6>,1|P<4>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	107.1885	0.054	2	106.9910	0.104	10	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Fe<5>,1|P<4>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	107.0285	0.166	2	106.9910	0.104	10	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|Mo<6>,1|P<4>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	106.7855	0.163	2	106.9910	0.104	10	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{1|P<4>,1|W<6>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	107.1870	0.075	2	106.9910	0.104	10	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]C[6a]2P[6])(H)2{2|Co<4>,1|P<4>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	106.7655	0.725	2	106.9910	0.104	10	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]2C[6])(P[6]Ga[6]CC)(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,4|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	106.4703	0.447	3	106.4703	0.200	3	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	B[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](B[6]C[6a]P[6]C)(P[6]C[6a]2B[6])(H)2{2|C<4>,9|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	106.9540	0.115	3	106.9540	0.013	3	106.8864	0.133	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2	H(C[6]C[3,3x6]C[6]H)	H(C[6]C[3,3x6]C[6]H)	C[6](C[3,3x6]C[3,6,6]C[4,6,6]N[3,6])(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,3x6]C[6]H)	H(C[6]C[3,3x6]C[6]H)	108.7160	0.000	1	108.7160	0.000	1	108.7160	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2	H(C[6]C[3,5,5,6,6]C[6]H)	H(C[6]C[3,5,5,6,6]C[6]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6]C[6]HH)(H)2{1|Sn<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3,5,5,6,6]C[6]H)	H(C[6]C[3,5,5,6,6]C[6]H)	104.6260	0.000	1	104.6260	0.000	1	104.6260	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,5,6,6]C[6]H)	H(C[6]C[3,5,6,6]C[6]H)	C[6](C[3,5,6,6]C[3,3x6]C[3,5,6]C[5,6])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[3,5,6,6]C[6]H)	H(C[6]C[3,5,6,6]C[6]H)	107.6790	0.074	2	107.6790	0.005	2	107.6790	0.005	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2	H(C[6]C[3,5,6]C[3,6]H)	H(C[6]C[3,5,6]C[3,6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,5,6]C[3,6]H)	H(C[6]C[3,5,6]C[3,6]H)	106.7420	0.000	1	106.7420	0.000	1	106.7290	2.015	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2	H(C[6]C[3,5,6]C[3,6]H)	H(C[6]C[3,5,6]C[3,6]H)	C[6](C[3,5,6]C[3,5,6]C[5,6]C[3])(C[3,6]C[3,6]C[3]O)(H)2{4|Cl<1>,2|H<1>,4|C<4>}	H(C[6]C[3,5,6]C[3,6]H)	H(C[6]C[3,5,6]C[3,6]H)	104.7170	0.000	1	104.7170	0.000	1	106.7290	2.015	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2	H(C[6]C[3,5,6]C[3,6]H)	H(C[6]C[3,5,6]C[3,6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[3,5,6]C[3,6]H)	H(C[6]C[3,5,6]C[3,6]H)	107.7285	0.011	2	107.7285	0.000	2	106.7290	2.015	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6,6]H)	H(C[6]C[3,5,6]C[6,6]H)	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[3,5,6]C[6,6]H)	H(C[6]C[3,5,6]C[6,6]H)	107.7760	0.000	1	107.7760	0.000	1	107.8885	0.025	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[3,5,6]C[6,6]H)	H(C[6]C[3,5,6]C[6,6]H)	C[6](C[3,5,6]C[3,5,6]C[5]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[3,5,6]C[6,6]H)	H(C[6]C[3,5,6]C[6,6]H)	108.0010	0.000	1	108.0010	0.000	1	107.8885	0.025	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	109.7610	3.028	2	109.7610	9.168	2	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.7900	0.000	1	107.7090	0.007	3	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.6685	0.063	2	107.7090	0.007	3	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[3,6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.8830	0.000	1	107.8830	0.000	1	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	108.0480	0.000	1	108.0480	0.000	1	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[5,6a]C[3,5]C[3,6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	108.0260	0.078	2	108.0260	0.006	2	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	C[6](C[3,5,6]C[5,6a]C[3,6]N[3,5])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|S<4>,6|C<3>}	H(C[6]C[3,5,6]C[6]H)	H(C[6]C[3,5,6]C[6]H)	107.5860	0.000	1	107.5860	0.000	1	108.2218	1.705	10	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6,6]C[3,6]H)	H(C[6]C[3,6,6]C[3,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[3,6]H)	H(C[6]C[3,6,6]C[3,6]H)	107.3785	0.039	2	107.3785	0.002	2	107.4960	0.042	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2	H(C[6]C[3,6,6]C[3,6]H)	H(C[6]C[3,6,6]C[3,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[3,6]C[3,6]N[3]H)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[3,6]H)	H(C[6]C[3,6,6]C[3,6]H)	107.7310	0.000	1	107.7310	0.000	1	107.4960	0.042	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[3,6,6]C[5,6]H)	H(C[6]C[3,6,6]C[5,6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[5,6]C[6]O[5]2)(H)2{2|H<1>,7|C<4>}	H(C[6]C[3,6,6]C[5,6]H)	H(C[6]C[3,6,6]C[5,6]H)	107.4320	0.000	1	107.4320	0.000	1	107.4917	0.071	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[3,6,6]C[5,6]H)	H(C[6]C[3,6,6]C[5,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[5,6]H)	H(C[6]C[3,6,6]C[5,6]H)	107.5215	0.370	2	107.5215	0.137	2	107.4917	0.071	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	107.5480	0.000	1	107.5480	0.000	1	107.7150	0.126	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	107.5400	0.047	2	107.5400	0.002	2	107.7150	0.126	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	107.5660	0.000	1	107.5660	0.000	1	107.7150	0.126	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[3x6]O[3])(C[6,6]C[6,6]C[6]O)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	107.3640	0.000	1	107.3640	0.000	1	107.7150	0.126	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	108.2340	0.000	1	108.2235	0.000	2	107.7150	0.126	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[3,6,6]C[6,6]H)	H(C[6]C[3,6,6]C[6,6]H)	108.2130	0.000	1	108.2235	0.000	2	107.7150	0.126	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,5,6,6]C[3]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	104.5720	1.457	2	104.5720	2.122	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[5,6]O[3])(C[6]C[6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	109.4290	0.000	1	109.4290	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.2425	0.141	2	107.1859	0.020	16	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.1779	0.146	14	107.1859	0.020	16	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[5,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.1990	0.000	1	107.1990	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6,6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.9260	0.000	1	107.9260	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.2680	0.000	1	108.0931	0.041	17	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.9710	0.240	2	108.0931	0.041	17	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.9100	0.164	2	108.0931	0.041	17	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.0213	0.039	3	108.0931	0.041	17	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.6310	0.000	1	108.0931	0.041	17	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.2322	0.095	8	108.0931	0.041	17	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.3300	0.000	1	108.9175	0.690	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[5,6]HH)(H)2{7|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	109.5050	0.000	1	108.9175	0.690	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]N[3])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.6685	0.132	2	107.6685	0.017	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[3x6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.8000	0.000	1	107.8000	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.0670	0.000	1	107.9415	0.032	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.8160	0.000	1	107.9415	0.032	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	110.4420	0.000	1	108.3197	2.016	4	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.4480	0.000	1	108.3197	2.016	4	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.6945	0.050	2	108.3197	2.016	4	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.6890	0.062	4	107.6890	0.004	4	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.7095	0.284	2	107.7095	0.080	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.7865	2.126	2	108.5733	2.397	3	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.1470	0.000	1	108.5733	2.397	3	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.9220	0.000	1	107.9220	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.5075	0.015	2	107.5075	0.000	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[5,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	105.0875	2.931	2	105.0875	8.591	2	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.0790	0.000	1	108.0790	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]CC)(H)2{3|C<4>,4|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	107.6260	0.000	1	107.6260	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.1850	0.000	1	108.1850	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.1250	0.018	2	108.1027	0.002	3	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(C[6]C[6]HO)(H)2{3|H<1>,4|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.0580	0.000	1	108.1027	0.002	3	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	C[6](C[3,6,6]C[3,6]N[3,6]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6,6]C[6]H)	H(C[6]C[3,6,6]C[6]H)	108.0660	0.000	1	108.0660	0.000	1	107.6809	1.083	70	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2	H(C[6]C[3,6]B[6]H)	H(C[6]C[3,6]B[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,6|C<3>}	H(C[6]C[3,6]B[6]H)	H(C[6]C[3,6]B[6]H)	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]C[3]H)(H)2{4|Cl<1>,1|H<1>,2|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.3165	0.018	2	107.3165	0.000	2	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)2(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]C[3]C)2(H)2{2|Br<1>,2|H<1>,3|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	103.6980	0.000	1	106.7957	8.946	3	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)2(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Br<1>,3|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.0220	0.000	1	106.7957	8.946	3	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)2(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]C[3]C)2(H)2{4|Cl<1>,3|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	109.6670	0.000	1	106.7957	8.946	3	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)2(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]C[3]H)2(H)2{2|Br<1>,1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.3470	0.000	1	107.3470	0.000	1	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.3310	0.000	1	107.3310	0.000	1	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.3535	0.114	2	107.3427	0.007	4	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]C)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.3320	0.081	2	107.3427	0.007	4	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.3380	0.000	1	107.4281	0.006	7	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]C)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.4432	0.071	6	107.4281	0.006	7	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.5170	0.020	2	107.5233	0.006	6	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.5120	0.113	3	107.5233	0.006	6	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]N[3]H)(C[3,6]C[3,6]O[3]H)(H)2{1|S<4>,3|C<4>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.5700	0.000	1	107.5233	0.006	6	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)2(H)2	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	C[6](C[3,6]C[3,6]O[3]H)2(H)2{1|C<4>,2|H<1>}	H(C[6]C[3,6]2H)	H(C[6]C[3,6]2H)	107.4450	0.000	1	107.4450	0.000	1	107.3460	0.797	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[5,6]C[5,6]O[5]2)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	104.2420	0.000	1	104.2420	0.000	1	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[3,5,6]C[5]C)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[3,5,6]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.9480	0.000	1	107.9480	0.000	1	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.8865	0.050	2	107.8865	0.003	2	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[5,6]C[5,6]C[5]O)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.3570	0.000	1	107.3570	0.000	1	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.6280	0.000	1	107.6280	0.000	1	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]C)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.9045	0.210	2	107.9045	0.044	2	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	108.2750	0.000	1	108.2750	0.000	1	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	109.4650	0.199	2	109.4650	0.040	2	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[5,6]C[5,6]C[5]C)(H)2{1|H<1>,6|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	108.0390	0.000	1	108.0390	0.000	1	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	108.2660	0.007	2	108.2660	0.000	2	107.8952	1.474	14	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,5,6,6]C[3,5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.4430	0.000	1	107.4430	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,5,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.8467	0.041	3	107.8467	0.002	3	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.8050	0.000	1	107.8007	0.075	7	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	108.0350	0.000	1	107.8007	0.075	7	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{2|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.7378	0.355	4	107.8007	0.075	7	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,3|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.8140	0.000	1	107.8007	0.075	7	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,6|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.7770	0.000	1	107.7770	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.3640	0.000	1	107.3640	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.6653	0.101	6	107.6653	0.010	6	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.8410	0.088	2	107.8410	0.008	2	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.6630	0.000	1	107.6630	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]2C)(H)2{1|S<4>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.6420	0.000	1	107.6420	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|S<4>,3|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.8520	0.000	1	107.8520	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.5440	0.000	1	107.5440	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.5205	0.023	2	107.5205	0.001	2	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.8323	0.086	3	107.7063	0.027	6	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.5803	0.109	3	107.7063	0.027	6	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.6280	0.000	1	107.6280	0.000	1	107.7062	0.034	34	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]2O)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.9080	0.000	1	108.9080	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]C[3,4]O)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5720	0.000	1	107.5720	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5515	0.026	2	107.5515	0.001	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,4,6]O[3]H)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.1910	0.000	1	107.1910	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.1070	0.023	2	107.1070	0.001	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.3830	0.000	1	107.4045	0.001	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4260	0.000	1	107.4045	0.001	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.5050	0.000	1	108.5050	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]C[6a]C[3])(C[6]C[5,6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	105.1500	0.000	1	105.1500	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	110.0075	0.276	2	110.0075	0.076	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	111.7200	0.000	1	108.8590	2.571	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1437	0.133	4	108.8590	2.571	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,5]2C[6])(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.4510	0.508	2	108.4510	0.258	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[5,6]HO)(H)2{2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1110	0.000	1	108.1110	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7030	0.000	1	107.7090	0.000	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7150	0.000	1	107.7090	0.000	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]C[3]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4710	0.000	1	107.4710	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8340	0.000	1	107.8340	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0910	0.000	1	108.0910	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6500	0.000	1	107.6500	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5130	0.216	2	107.7458	0.037	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8462	0.129	4	107.7458	0.037	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9750	0.000	1	107.7458	0.037	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6907	0.109	3	107.7458	0.037	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.3770	0.051	2	108.3770	0.003	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5210	0.000	1	107.5210	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9030	0.000	1	109.1138	13.322	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4800	0.000	1	109.1138	13.322	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	110.0620	4.819	3	109.1138	13.322	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6a]C[6]H)(H)2{2|H<1>,2|S<4>,3|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.4960	0.000	1	107.4960	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8850	0.000	1	107.8850	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.2270	0.000	1	109.2270	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.1970	0.000	1	107.1970	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|S<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	103.0660	0.000	1	105.2105	9.198	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.3550	0.000	1	105.2105	9.198	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5753	0.288	3	107.5753	0.083	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1770	0.000	1	107.7811	4.464	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{1|N<4>,2|C<3>,2|F<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.4260	0.000	1	107.7811	4.464	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|N<3>,2|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	110.9470	0.000	1	107.7811	4.464	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	106.7295	1.980	4	107.7811	4.464	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.2420	0.000	1	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.2910	0.000	1	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	110.5520	0.000	1	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.1370	0.000	1	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9720	0.000	1	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9680	0.040	2	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8850	0.000	1	108.0019	1.193	8	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]CN)(H)2{2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8430	0.000	1	107.8430	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6540	0.197	2	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.3160	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6910	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8263	0.006	3	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7075	0.083	2	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9547	0.126	3	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|F<1>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6990	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0330	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7680	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8510	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7365	0.021	2	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0390	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9093	0.058	3	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7960	0.000	1	107.8461	0.028	23	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]HO)(H)2{2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.1215	0.073	2	107.1215	0.005	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9115	0.127	2	107.9115	0.016	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7670	0.000	1	107.7670	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0720	0.000	1	108.0055	0.009	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9390	0.000	1	108.0055	0.009	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]P[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.2250	0.000	1	108.2250	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6,6a]HH)(H)2{2|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	106.9400	1.277	2	106.9400	1.631	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]N[6])(C[6]C[6]HH)(H)2{2|F<1>,3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0050	0.000	1	108.0050	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[3]O)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9490	1.363	2	107.9490	1.859	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]C[6a]O[3])(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5730	0.000	1	107.5730	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[3,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6970	0.000	1	107.6970	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8510	0.117	2	107.8510	0.014	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8845	0.118	2	107.8845	0.014	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.3570	0.000	1	108.1885	0.620	4	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6840	0.000	1	108.1885	0.620	4	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8565	0.145	2	108.1885	0.620	4	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6990	0.000	1	107.6990	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.2090	0.000	1	108.1543	0.842	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[3,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6270	0.127	2	108.1543	0.842	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6660	0.000	1	107.6660	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	105.5450	0.000	1	105.7230	0.063	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	105.9010	0.000	1	105.7230	0.063	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	111.1560	0.000	1	108.5633	2.937	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1312	1.398	6	108.5633	2.937	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8270	0.000	1	107.8270	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.5820	0.000	1	107.5820	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9355	0.052	2	107.1903	1.667	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[3]C[6]H)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	105.7000	0.000	1	107.1903	1.667	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,5,6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	105.7770	0.000	1	105.7770	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.0090	0.232	3	107.0090	0.054	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8590	0.000	1	107.8590	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0770	0.000	1	108.0770	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1767	0.741	7	108.1767	0.549	7	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HO)(H)2{4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8170	0.000	1	107.8170	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.2383	0.912	3	107.3637	0.618	4	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7400	0.000	1	107.3637	0.618	4	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8600	0.000	1	108.2828	0.548	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.5687	0.889	3	108.2828	0.548	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8480	0.000	1	108.2828	0.548	5	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7180	0.000	1	107.7180	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1290	0.000	1	108.1290	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1950	0.000	1	108.1950	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8305	0.023	2	107.8305	0.001	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3,6]P[3]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|W<6>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6145	0.097	2	107.6145	0.009	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.2170	0.000	1	108.1329	0.278	9	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Br<1>,1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7000	0.000	1	108.1329	0.278	9	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.6680	1.114	2	108.1329	0.278	9	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{2|Cl<1>,1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8215	0.022	2	108.1329	0.278	9	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[3,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1000	0.087	3	108.1329	0.278	9	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6,6a]HH)(H)2{2|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1420	0.000	1	108.1420	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1750	0.000	1	108.1210	0.006	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]BrH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0670	0.000	1	108.1210	0.006	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|F<1>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8950	0.000	1	107.8950	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,6|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1130	0.000	1	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.3950	0.000	1	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.2580	0.085	2	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,5|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9720	0.000	1	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.4600	0.000	1	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.5130	0.000	1	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1263	0.198	3	108.4348	0.330	10	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HN)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.8170	0.000	1	107.8170	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{2|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0610	0.000	1	108.0885	0.002	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]HO)(H)2{4|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1160	0.000	1	108.0885	0.002	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2C[6])(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.3940	0.000	1	108.3940	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.6990	0.000	1	107.6990	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[3,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9143	0.470	3	107.9143	0.220	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.3160	0.000	1	108.1540	0.021	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0730	0.047	2	108.1540	0.021	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.5150	0.000	1	108.5150	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0680	0.000	1	108.2175	0.045	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.3670	0.000	1	108.2175	0.045	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.2620	0.000	1	108.2620	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.1047	0.108	3	108.1047	0.012	3	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[5a,6]C[3]O[3])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.7360	0.000	1	107.7360	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6,6]C[3]O[3])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	109.5210	0.000	1	109.5210	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9680	0.000	1	107.9680	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6]O[3]P[3])(C[6]C[6]HH)(H)2{1|W<6>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	108.0177	0.188	4	108.0177	0.035	4	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]C[6]O[3]P[3])(C[6]O[6]HH)(H)2{1|W<6>,2|C<4>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9635	0.036	2	107.9635	0.001	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]N[3,6]C[6a]C[3])(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9720	0.066	2	107.9720	0.004	2	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	C[6](C[3,6]Nb[3]C[6]N[3])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[3,6]C[6]H)	H(C[6]C[3,6]C[6]H)	107.9800	0.000	1	107.9800	0.000	1	107.9367	1.095	218	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[3x5,3x6]C[6]H)	H(C[6]C[3x5,3x6]C[6]H)	C[6](C[3x5,3x6]C[3x5,3x6]2C[5,5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[3x5,3x6]C[6]H)	H(C[6]C[3x5,3x6]C[6]H)	108.0450	0.000	1	108.0450	0.000	1	108.0450	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	103.9210	0.000	1	103.9210	0.000	1	105.9455	8.197	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[3x5,6,6]C[6]H)	H(C[6]C[3x5,6,6]C[6]H)	107.9700	0.000	1	107.9700	0.000	1	105.9455	8.197	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x5,6]C[6]H)	H(C[6]C[3x5,6]C[6]H)	C[6](C[3x5,6]C[5,5,6]C[5,5]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[3x5,6]C[6]H)	H(C[6]C[3x5,6]C[6]H)	108.2415	0.083	2	108.2415	0.007	2	108.2415	0.007	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2	H(C[6]C[3x6]B[6]H)	H(C[6]C[3x6]B[6]H)	C[6](C[3x6]C[6,6]2C[6])(B[6]C[6a]2C[6])(H)2{3|C<4>,6|C<3>,6|H<1>}	H(C[6]C[3x6]B[6]H)	H(C[6]C[3x6]B[6]H)	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2	H(C[6]C[3,6]C[3x6]H)	H(C[6]C[3,6]C[3x6]H)	C[6](C[3x6]C[5,5,6,6]C[4x6]C)(C[3,6]C[3,6,6]O[3]H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[3,6]C[3x6]H)	H(C[6]C[3,6]C[3x6]H)	107.9085	0.111	4	107.9085	0.012	4	107.9085	0.012	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[3x6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2	H(C[6]C[3x6]2H)	H(C[6]C[3x6]2H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[3x6]C[4x6]C[6,6]H)(H)2{3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3x6]2H)	H(C[6]C[3x6]2H)	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	H(C[6]C[3x6]C[5,6]H)	H(C[6]C[3x6]C[5,6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[3x6]C[5,6]H)	H(C[6]C[3x6]C[5,6]H)	107.8205	0.023	2	107.8205	0.001	2	107.7750	0.006	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[3x6]C[5,6]H)	H(C[6]C[3x6]C[5,6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[5,6]C[6]O[5]2)(H)2{1|O<2>,2|C<3>,4|H<1>,5|C<4>}	H(C[6]C[3x6]C[5,6]H)	H(C[6]C[3x6]C[5,6]H)	107.6840	0.000	1	107.6840	0.000	1	107.7750	0.006	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2	H(C[6]C[3x6]C[6,6]H)	H(C[6]C[3x6]C[6,6]H)	C[6](C[3x6]C[4x6]O[6,6]H)(C[6,6]C[6,6]O[6,6]H)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[3x6]C[6,6]H)	H(C[6]C[3x6]C[6,6]H)	107.8470	0.000	1	107.8470	0.000	1	107.8470	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]B[3x6]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	105.8860	0.849	2	105.8860	0.720	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	105.9210	0.000	1	105.9210	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<2>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9440	0.000	1	107.6855	0.048	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0290	0.000	1	107.6855	0.048	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4730	0.000	1	107.6855	0.048	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|N<4>,5|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5463	0.035	4	107.6855	0.048	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2C[6])(C[6]C[6]HH)(H)2{1|Rh<4>,1|N<3>,2|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8530	0.000	1	107.6855	0.048	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9260	0.000	1	106.4633	3.587	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.1400	0.000	1	106.4633	3.587	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	104.3240	0.000	1	106.4633	3.587	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9820	0.000	1	107.8760	0.022	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7700	0.000	1	107.8760	0.022	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7270	0.000	1	106.6315	2.400	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	105.5360	0.000	1	106.6315	2.400	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8210	0.000	1	107.8210	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.4540	0.000	1	108.4540	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0040	0.000	1	108.0040	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.0880	0.000	1	107.6070	0.539	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1260	0.000	1	107.6070	0.539	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9030	0.000	2	107.7684	3.018	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7565	2.646	4	107.7684	3.018	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8360	0.000	1	107.7684	3.018	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4790	0.000	1	107.7684	3.018	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8150	0.000	1	107.8150	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8300	0.000	1	107.9190	0.016	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0080	0.000	1	107.9190	0.016	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.3020	0.000	1	108.3020	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1860	0.000	1	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0760	0.000	1	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9855	0.192	2	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0940	0.058	2	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6340	0.066	2	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9980	0.000	1	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6240	0.000	1	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	106.3635	1.237	4	107.4832	0.929	14	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.2175	0.066	2	107.4825	0.095	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7340	0.000	1	107.4825	0.095	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7610	0.000	1	107.4825	0.095	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	109.0050	1.181	2	109.0050	1.394	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7930	0.000	1	107.8545	0.008	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9160	0.000	1	107.8545	0.008	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0020	0.000	1	107.8975	0.022	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7930	0.000	1	107.8975	0.022	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5120	0.000	1	107.5120	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7315	0.015	2	107.6495	0.015	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6457	0.161	4	107.6495	0.015	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5350	0.000	1	107.6495	0.015	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6150	0.000	1	107.6495	0.015	8	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6500	0.000	1	107.6853	0.005	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7660	0.000	1	107.6853	0.005	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6400	0.000	1	107.6853	0.005	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7170	0.000	1	107.7170	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.3190	0.000	1	107.3190	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9320	0.000	1	107.9320	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[3x6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1085	0.086	2	108.1085	0.007	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9705	0.036	2	107.9705	0.001	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	110.3170	0.000	1	108.5165	1.442	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9163	0.034	3	108.5165	1.442	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[3x6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9690	0.000	1	107.9690	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7647	0.094	3	107.7647	0.009	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4,6,6]C[6,6]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7193	0.040	3	107.7193	0.002	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]2O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7610	0.000	1	107.7610	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9165	0.103	2	107.9165	0.011	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,3|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2205	0.073	2	108.2205	0.005	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0115	0.040	2	108.1400	0.033	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0440	0.000	1	108.1400	0.033	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.4870	0.000	1	108.1400	0.033	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1140	0.000	1	108.1400	0.033	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1720	0.000	1	108.1400	0.033	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2845	1.661	2	108.1467	1.436	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8710	0.000	1	108.1467	1.436	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8470	0.000	1	107.8470	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.3060	0.000	1	107.7680	0.427	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2300	0.000	1	107.7680	0.427	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[4x6]O[6,6]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9550	0.093	7	107.9550	0.009	7	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9060	0.000	1	107.9060	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8170	0.000	1	108.2917	0.127	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2260	0.000	1	108.2917	0.127	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.5620	0.075	2	108.2917	0.127	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5980	0.140	2	108.0818	0.420	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0070	0.000	1	108.0818	0.420	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.4365	0.870	4	108.0818	0.420	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8935	0.156	2	108.0818	0.420	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[4x6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1457	0.056	4	108.1457	0.003	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.3490	1.439	3	109.1013	1.634	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	109.8537	0.563	3	109.1013	1.634	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[5,4x6]HH)(H)2{8|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7070	0.000	1	107.7070	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.5670	2.819	3	108.3014	2.180	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6080	0.000	1	108.3014	2.180	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4800	0.000	1	108.3014	2.180	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.5423	0.066	3	108.3014	2.180	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2970	0.000	1	108.3014	2.180	9	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<2>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1470	0.000	1	108.1470	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0020	0.000	1	108.1726	0.071	7	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.3074	0.112	5	108.1726	0.071	7	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6690	0.000	1	108.1726	0.071	7	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0330	0.000	1	108.0330	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,3x6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9260	0.000	1	107.9260	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[3x6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.0930	0.000	1	107.0930	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	105.5435	1.949	2	105.5435	3.801	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9783	0.047	3	107.8915	0.023	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6140	0.000	1	107.8915	0.023	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,4x6]C[4x6]O)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9000	0.092	2	107.8915	0.023	6	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[5,6,6]C[3x6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.2235	0.018	2	108.2235	0.000	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9970	0.000	1	107.9970	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.6250	0.000	1	108.6105	0.000	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]O[6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.5960	0.000	1	108.6105	0.000	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6,6a]C[6,6a]C[3x6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8905	0.037	2	107.8905	0.001	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7850	0.000	1	107.7850	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6782	0.246	4	107.6782	0.061	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4003	0.186	3	107.9128	1.073	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	109.4500	0.000	1	107.9128	1.073	4	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9500	0.000	1	107.7880	0.052	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8870	0.000	1	107.7880	0.052	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5270	0.000	1	107.7880	0.052	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]N[6,6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.0190	0.079	2	108.0190	0.006	2	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5840	0.000	1	107.5840	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6480	0.000	1	107.6480	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6]O[6,6]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.3130	0.000	1	108.3130	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9117	0.034	3	107.9117	0.001	3	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.5640	0.000	1	107.5640	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	108.1310	0.000	1	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9960	0.000	1	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.7640	0.000	1	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8440	0.000	1	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9120	0.000	1	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9368	0.061	5	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]N[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.9905	0.054	2	107.9427	0.009	12	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[3x6]N[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.6420	0.000	1	107.6420	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[6,6]2)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.4440	0.000	1	107.4440	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]C[6,6a]C[6,6]O[6,6])(C[6]C[6,6a]CH)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8080	0.000	1	107.8080	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	C[6](C[3x6]N[6,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6]H)	H(C[6]C[3x6]C[6]H)	107.8180	0.000	1	107.8180	0.000	1	107.8632	0.713	210	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,3x5,6]C[6]H)	H(C[6]C[4,3x5,6]C[6]H)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4,3x5,6]C[6]H)	H(C[6]C[4,3x5,6]C[6]H)	114.9840	0.000	1	114.9840	0.000	1	117.0245	8.327	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,3x5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2	H(C[6]C[4,3x5,6]C[6]H)	H(C[6]C[4,3x5,6]C[6]H)	C[6](C[4,3x5,6]C[4,5,5,6,6]C[3x5,6]C[4,5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4,3x5,6]C[6]H)	H(C[6]C[4,3x5,6]C[6]H)	119.0650	0.000	1	119.0650	0.000	1	117.0245	8.327	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,3x6]C[6]H)	H(C[6]C[4,3x6]C[6]H)	C[6](C[4,3x6]C[4,6,6]C[3x6]C[4,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[4,3x6]C[6]H)	H(C[6]C[4,3x6]C[6]H)	108.2610	0.000	1	108.2610	0.000	1	108.2610	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2	H(C[6]C[4,4,5,6]C[6]H)	H(C[6]C[4,4,5,6]C[6]H)	C[6](C[4,4,5,6]C[4,5,6]N[3,4,4]C[4,5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[4,4,5,6]C[6]H)	H(C[6]C[4,4,5,6]C[6]H)	107.8920	0.000	1	107.8920	0.000	1	107.8920	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,3x6]C[6]H)	H(C[6]C[4,5,3x6]C[6]H)	C[6](C[4,5,3x6]C[4,5,5,6]C[4,6,6]C[5,6,6])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	H(C[6]C[4,5,3x6]C[6]H)	H(C[6]C[4,5,3x6]C[6]H)	107.7735	0.071	2	107.7735	0.005	2	107.7735	0.005	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,5,6,6]C[6]H)	H(C[6]C[4,5,5,6,6]C[6]H)	C[6](C[4,5,5,6,6]C[4,3x5,6]C[4,5,5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,5,5,6,6]C[6]H)	H(C[6]C[4,5,5,6,6]C[6]H)	92.2596	0.000	1	92.2596	0.000	1	102.8698	225.153	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,5,6,6]C[6]H)	H(C[6]C[4,5,5,6,6]C[6]H)	C[6](C[4,5,5,6,6]C[4,5,5,6,6]C[4,3x5,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[4,5,5,6,6]C[6]H)	H(C[6]C[4,5,5,6,6]C[6]H)	113.4800	0.000	1	113.4800	0.000	1	102.8698	225.153	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,5,6]C[6]H)	H(C[6]C[4,5,5,6]C[6]H)	C[6](C[4,5,5,6]C[4,5,6]C[4,5]C[5,5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[4,5,5,6]C[6]H)	H(C[6]C[4,5,5,6]C[6]H)	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6,6]C[6]H)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,5,6]C[4,5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[4,5,6,6]C[6]H)	H(C[6]C[4,5,6,6]C[6]H)	107.6750	0.000	1	107.6750	0.000	1	107.8185	0.041	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6,6]C[6]H)	H(C[6]C[4,5,6,6]C[6]H)	C[6](C[4,5,6,6]C[4,5,6]C[4,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[4,5,6,6]C[6]H)	H(C[6]C[4,5,6,6]C[6]H)	107.9620	0.000	1	107.9620	0.000	1	107.8185	0.041	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,4,5,6]C[3,4,5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	108.0100	0.000	1	108.0100	0.000	1	107.8989	0.153	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,5,6]C[4,5,5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	107.4480	0.000	1	107.4480	0.000	1	107.8989	0.153	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	107.5740	0.000	1	107.5837	0.001	3	107.8989	0.153	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[4,6]C[5])(C[6]C[6]HH)(H)2{1|Cl<1>,4|C<4>,5|H<1>}	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	107.5885	0.043	2	107.5837	0.001	3	107.8989	0.153	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5,6]C[5,6]C[4])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	108.3025	0.042	2	108.3025	0.002	2	107.8989	0.153	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	C[6](C[4,5,6]C[4,5]C[4,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[4,5,6]C[6]H)	H(C[6]C[4,5,6]C[6]H)	108.3770	0.000	1	108.3770	0.000	1	107.8989	0.153	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[3,4,6]C[4,6,6]N[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	109.3120	0.000	1	109.3120	0.000	1	107.6478	0.473	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,3x6]C[4,6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	107.4310	0.003	2	107.4310	0.000	2	107.6478	0.473	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,5,6,6]C[4,3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	107.6960	0.000	1	107.6960	0.000	1	107.6478	0.473	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6,6]C[4,6]N[6])(C[6]C[6,6]HH)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	107.3160	0.000	1	107.3160	0.000	1	107.6478	0.473	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	107.1740	0.000	1	107.1740	0.000	1	107.6478	0.473	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	C[6](C[4,6,6]C[4,6]C[6,6]N[4,6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4,6,6]C[6]H)	H(C[6]C[4,6,6]C[6]H)	107.4110	0.034	2	107.4110	0.001	2	107.6478	0.473	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6,6]C[4,6]O)(C[5,6]C[5,6]C[5]C)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	108.2810	0.000	1	108.2810	0.000	1	108.7716	1.131	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	110.3060	0.000	1	110.3060	0.000	1	108.7716	1.131	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	107.6600	0.000	1	107.6600	0.000	1	108.7716	1.131	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	109.3930	0.000	1	109.3930	0.000	1	108.7716	1.131	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	H(C[6]C[4,6]C[5,6]H)	H(C[6]C[4,6]C[5,6]H)	108.2180	0.000	1	108.2180	0.000	1	108.7716	1.131	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[3,4,6]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	112.8960	0.000	1	112.8960	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[3,4,6]C[4,6]O)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.2890	0.184	2	108.2890	0.034	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	105.6110	0.000	1	105.6110	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.6320	0.000	1	107.6960	0.008	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[5,6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7600	0.000	1	107.6960	0.008	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7370	0.000	1	107.6093	0.052	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.5455	0.282	2	107.6093	0.052	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.2740	0.000	1	108.2740	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.2010	0.989	2	109.2010	0.977	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.8960	0.000	1	108.8960	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7957	0.105	3	107.7957	0.011	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7080	0.000	1	107.7725	0.094	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.4240	0.000	1	107.7725	0.094	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.1670	0.000	1	107.7725	0.094	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7910	0.000	1	107.7725	0.094	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.1690	0.000	1	108.0320	0.014	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5,6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9635	0.011	2	108.0320	0.014	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7780	0.000	1	107.7780	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	106.5880	0.000	1	106.1713	2.435	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.4810	0.000	1	106.1713	2.435	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	104.4450	0.000	1	106.1713	2.435	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7025	0.012	2	107.7025	0.000	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7970	0.034	2	106.5500	4.666	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	104.0560	0.000	1	106.5500	4.666	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	106.2260	0.075	2	107.0000	0.801	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7740	0.007	2	107.0000	0.801	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.3693	0.070	3	108.3693	0.005	3	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6,6]C[6a]C[4])(C[6]C[6,6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	105.3670	0.000	1	105.3670	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.1050	0.000	1	108.1050	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.8850	0.000	1	107.8850	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7240	0.134	2	108.6054	1.718	7	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.8870	0.000	1	108.6054	1.718	7	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.2258	1.492	4	108.6054	1.718	7	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	106.6310	0.000	1	108.3724	14.142	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	114.8280	0.000	1	108.3724	14.142	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7160	0.000	1	108.3724	14.142	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	106.3435	1.788	2	108.3724	14.142	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]2S)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	110.0250	0.000	1	110.0250	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]B[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.3860	0.000	1	108.3860	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.2993	0.178	3	108.3487	0.031	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.4970	0.000	1	108.3487	0.031	4	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]CO)(H)2{2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.4910	0.095	2	107.4910	0.009	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|C<2>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0490	0.074	2	108.0490	0.005	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.4350	0.000	1	108.4350	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.7390	0.249	2	108.7390	0.062	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9005	0.545	2	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0490	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.5390	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.5310	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.8740	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7020	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9910	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9230	0.073	3	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.5070	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9840	0.161	2	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.7730	0.000	1	108.1669	0.250	15	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.3950	0.000	1	108.6790	1.025	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]O[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9630	0.000	1	108.6790	1.025	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4,6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.8880	0.000	1	108.8880	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]C)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7650	0.000	1	107.7650	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]N[4]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.7590	0.000	1	108.7590	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.5240	0.000	1	107.5240	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.5890	0.208	2	107.5890	0.043	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7125	0.827	8	107.6810	0.608	9	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6]O[4]H)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.4290	0.000	1	107.6810	0.608	9	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.4900	0.000	1	105.8350	26.718	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6]C[4,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	102.1800	0.000	1	105.8350	26.718	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9060	0.195	2	107.9060	0.038	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9870	0.000	1	107.9870	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0150	0.181	2	108.0150	0.033	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0080	0.156	2	107.9731	0.011	7	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.9592	0.099	5	107.9731	0.011	7	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.7695	1.770	2	107.7695	3.133	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	110.9460	0.000	1	110.9460	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[4]C[6]O[4])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.4065	0.015	2	109.4065	0.000	2	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]C[6,6a]C[4]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	107.8290	0.000	1	107.8290	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0670	0.000	1	108.0670	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	109.4050	0.000	1	109.4050	0.000	1	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.2910	0.000	1	108.2718	0.025	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.3463	0.106	3	108.2718	0.025	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[4,6]C[6]H)	H(C[6]C[4,6]C[6]H)	108.0290	0.000	1	108.2718	0.025	5	108.0201	1.805	126	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2	H(C[6]C[4,6]Si[6]H)	H(C[6]C[4,6]Si[6]H)	C[6](C[4,6]C[4]2C[6])(Si[6]O[6]CC)(H)2{1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[4,6]Si[6]H)	H(C[6]C[4,6]Si[6]H)	107.1875	0.213	2	107.1875	0.045	2	107.1875	0.045	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2	H(C[6]C[4x6]C[5,6]H)	H(C[6]C[4x6]C[5,6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5,6]C[5,6a]C[5,6]O)(H)2{1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[4x6]C[5,6]H)	H(C[6]C[4x6]C[5,6]H)	107.8600	0.000	1	107.8600	0.000	1	107.7080	0.046	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[4x6]C[5,6]H)	H(C[6]C[4x6]C[5,6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,7|H<1>}	H(C[6]C[4x6]C[5,6]H)	H(C[6]C[4x6]C[5,6]H)	107.5560	0.000	1	107.5560	0.000	1	107.7080	0.046	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[4x6]C[6,6]H)	H(C[6]C[4x6]C[6,6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6,6]C[6,6]C[6]C)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>,7|H<1>}	H(C[6]C[4x6]C[6,6]H)	H(C[6]C[4x6]C[6,6]H)	107.5560	0.000	1	107.5560	0.000	1	107.5560	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7450	0.000	1	107.7450	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[5,6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8555	0.033	2	107.8555	0.001	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7600	0.000	1	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6903	0.043	3	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7197	0.125	3	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6320	0.021	2	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.2383	0.171	3	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.5030	0.000	1	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.4060	0.000	1	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8250	0.000	1	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7212	0.042	4	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6330	0.000	1	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7910	0.000	1	107.6196	0.039	21	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]CH)(H)2{1|H<1>,2|O<1>,6|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7725	0.227	2	107.7725	0.052	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.7200	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8100	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7380	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8040	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.9080	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7230	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8640	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7120	0.000	1	107.9099	0.112	8	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.5250	0.000	1	107.6195	0.018	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]CH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7140	0.000	1	107.6195	0.018	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.9270	0.184	2	107.9270	0.034	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.0057	0.106	3	107.9670	0.013	4	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6,6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8510	0.000	1	107.9670	0.013	4	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.9092	0.095	6	107.9092	0.009	6	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7710	0.000	1	107.7710	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]S[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[3x6]O[6,6]2)(C[6]S[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6860	0.000	1	107.6860	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.0445	0.087	2	108.0445	0.008	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6090	0.000	1	107.5798	0.050	6	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.5740	0.249	5	107.5798	0.050	6	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.1763	0.021	3	107.6518	0.966	11	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<2>,2|H<1>,5|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	104.7950	0.000	1	107.6518	0.966	11	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7037	0.203	4	107.6518	0.966	11	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.1165	0.288	2	107.6518	0.966	11	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7980	0.000	1	107.6518	0.966	11	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]2C[3x6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.5390	0.000	1	107.5390	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6787	0.056	3	107.6787	0.003	3	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	108.7860	0.939	2	108.7860	0.882	2	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[5x6]C[6,6]O[6,6])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	106.8600	0.000	1	106.8600	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6370	0.000	1	107.6370	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.7230	0.000	1	107.7230	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6,6a]C[3x6]C[6,6])(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.6120	0.000	1	107.6120	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]C[6,6a]C[4x6]C[6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|N<3>,3|C<3>,3|C<4>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.9880	0.000	1	107.9880	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[4x6]C[6]H)	H(C[6]C[4x6]C[6]H)	107.8150	0.000	1	107.8150	0.000	1	107.7490	0.211	82	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2	H(C[6]C[5,3x6]C[5,6]H)	H(C[6]C[5,3x6]C[5,6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,5,6,6]O)(C[5,6]O[5,6]O[5]C)(H)2{1|O<2>,6|C<4>}	H(C[6]C[5,3x6]C[5,6]H)	H(C[6]C[5,3x6]C[5,6]H)	107.8510	0.000	1	107.8510	0.000	1	107.8510	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]B[3x3,4x5,15x6]B[5,6,6]H)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,1|O<2>,3|B<6>,3|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.7410	0.000	1	107.7410	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.5640	0.000	1	107.7185	0.014	4	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.7700	0.067	3	107.7185	0.014	4	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.9250	0.000	1	107.7580	0.056	2	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[3x6]C[5,6]N[5,6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.5910	0.000	1	107.7580	0.056	2	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.6420	0.000	1	107.6420	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,3x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.9940	0.000	1	107.9940	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,4x6]C[3x6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.7710	0.000	1	107.7710	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,4x6]C[3x6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.8870	0.000	1	107.8870	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,4x6]C[4x6]O[5])(C[6]C[6]HH)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	106.9720	0.000	1	106.9720	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{4|H<1>,7|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.3187	0.068	3	107.3187	0.005	3	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.6870	0.000	1	107.6870	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,3x6]C[5,6]C[6])(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.8770	0.000	1	107.8770	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,5,6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.5695	0.067	2	107.5695	0.005	2	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6]C[4x6]C[5])(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	103.3040	0.000	1	103.3040	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.6980	0.000	1	107.6980	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6]C[6,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.6920	0.000	1	107.6920	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.0090	0.000	1	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	102.8350	0.000	1	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.0010	0.000	1	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|H<1>,2|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.9920	0.001	2	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.1990	0.000	1	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.1037	1.063	12	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.8010	0.226	7	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	108.0010	0.000	1	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5,6,6a]C[3x6]C[5,6])(C[6]N[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	107.9985	0.016	2	107.8171	1.442	28	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	C[6](C[5,3x6]C[5a,6,6]C[5,6,6]C[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,3x6]C[6]H)	H(C[6]C[5,3x6]C[6]H)	109.6640	0.000	1	109.6640	0.000	1	107.6920	1.275	51	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,3x6]C[4x6]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.8940	0.153	2	107.8940	0.023	2	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[3x6]HH)(H)2{5|H<1>,6|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.2950	0.000	1	107.2950	0.000	1	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.6870	0.000	1	107.6870	0.000	1	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[4,4x6]C[5,6,6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.9070	0.000	1	107.9070	0.000	1	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.8080	0.000	1	108.7675	9.447	12	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.7995	0.101	2	108.7675	9.447	12	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	110.5345	5.280	4	108.7675	9.447	12	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	108.0007	0.687	4	108.7675	9.447	12	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	C[6](C[5,4x6]C[5,6,6a]C[5,6,6]C[5x6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,5|C<4>}	H(C[6]C[5,4x6]C[6]H)	H(C[6]C[5,4x6]C[6]H)	107.6620	0.000	1	108.7675	9.447	12	108.4639	6.748	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,3x6]C[6]H)	H(C[6]C[5,5,3x6]C[6]H)	C[6](C[5,5,3x6]C[5,5,3x6]C[5,5,6,6]C[5,3x6])(C[6]C[6]HH)(H)2{1|N<3>,5|C<4>,5|H<1>}	H(C[6]C[5,5,3x6]C[6]H)	H(C[6]C[5,5,3x6]C[6]H)	107.8270	0.000	2	107.8270	0.000	2	107.7502	0.068	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,3x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,5,3x6]C[6]H)	H(C[6]C[5,5,3x6]C[6]H)	C[6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]N[5,6])(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[5,5,3x6]C[6]H)	H(C[6]C[5,5,3x6]C[6]H)	107.6735	0.426	2	107.6735	0.182	2	107.7502	0.068	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2	H(C[6]C[5,5,6,6]C[5,6]H)	H(C[6]C[5,5,6,6]C[5,6]H)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[6,6])(C[5,6]C[5,6]O[5]2)(H)2{10|C<4>,1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[5,5,6,6]C[5,6]H)	H(C[6]C[5,5,6,6]C[5,6]H)	107.6920	0.000	1	107.6920	0.000	1	107.6920	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2	H(C[6]C[5,5,6,6]C[6,6]H)	H(C[6]C[5,5,6,6]C[6,6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6,6]C[6,6]C[6]O)(H)2{1|H<1>,1|O<2>,2|C<3>,7|C<4>}	H(C[6]C[5,5,6,6]C[6,6]H)	H(C[6]C[5,5,6,6]C[6,6]H)	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6,6]O[5,6])(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.9710	0.000	1	107.9710	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]2)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.1110	0.000	1	108.1110	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[3x5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.2300	0.000	1	108.2300	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,3x6]C[5,5,6]C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,2|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.1550	0.086	2	108.1550	0.007	2	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,4x6]C[5,5,6]C[6])(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.3760	0.000	1	107.3760	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.1070	0.000	1	108.1070	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]2C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	110.1470	0.000	1	110.1470	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]2O[5,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.3180	0.000	1	108.3180	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.8030	0.000	1	107.8030	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.8600	0.000	1	107.8600	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,5,6]N[5,6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.1680	0.000	1	108.1680	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.8320	0.000	1	107.8320	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.2560	0.000	1	108.2560	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.4050	0.000	1	108.0555	0.244	2	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.7060	0.000	1	108.0555	0.244	2	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	107.8060	0.000	1	107.8060	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	101.5020	0.000	1	101.5020	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	C[6](C[5,5,6,6]C[5,6,6]O[5,5]O[5,6])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,5,6,6]C[6]H)	H(C[6]C[5,5,6,6]C[6]H)	108.4980	0.000	1	108.4980	0.000	1	107.8108	2.639	19	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]C)(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	107.7180	0.000	1	107.7180	0.000	1	107.6668	0.040	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	107.7600	0.027	2	107.7600	0.001	2	107.6668	0.040	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[5,6]C[6]O[5]2)(H)2{6|H<1>,7|C<4>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	107.2320	0.000	1	107.2320	0.000	1	107.6668	0.040	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	107.9180	0.000	1	107.9180	0.000	1	107.6668	0.040	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	107.6320	0.044	2	107.6320	0.002	2	107.6668	0.040	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[5,6]H)	H(C[6]C[5,5,6]C[5,6]H)	107.6820	0.000	1	107.6820	0.000	1	107.6668	0.040	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[3,5,5]C[3x5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.4225	0.005	2	108.4225	0.000	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[3x5,6,6]C[4x5,3x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1590	0.000	1	108.1590	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[3x5,6]C[5]O[5])(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1145	0.131	2	108.1145	0.017	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[4,5,5]C[5,5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1620	0.106	2	108.1620	0.011	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.6030	0.000	1	107.6030	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	103.6480	0.000	1	103.6480	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5,5,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1820	0.000	1	108.1820	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.5030	0.000	1	107.5030	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5]N[5])(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.6070	0.000	1	107.6070	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.5480	0.000	1	107.5480	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8650	0.000	1	107.8650	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	109.5010	0.000	1	109.5010	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0530	0.000	1	108.0530	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.6020	0.066	2	107.6020	0.004	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0290	0.141	4	108.0290	0.020	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]2)(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0980	0.000	1	108.0980	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.2010	0.000	1	107.2010	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	105.8210	0.000	1	105.8210	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<2>,2|C<4>,5|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1020	0.000	1	107.6935	0.461	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.6570	0.000	1	107.6935	0.461	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6]N[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.5075	1.070	2	107.6935	0.461	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9820	0.000	1	107.9820	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9350	0.253	2	107.9350	0.064	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]C[6a]O[6]H)(H)2{4|C<3>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9330	0.000	1	107.9330	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5,6a]O[5])(C[6]N[6]CH)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.7880	0.000	1	107.7880	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	109.2700	0.000	1	108.3640	0.620	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HH)(H)2{3|H<1>,3|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9110	0.092	2	108.3640	0.620	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[5,6]HO)(H)2{2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.9320	0.000	1	108.9320	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1663	0.070	3	108.1663	0.005	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8500	0.000	1	107.9107	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.7950	0.000	1	107.9107	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9990	0.345	2	107.9107	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]2)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.4790	0.000	1	107.4790	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9180	0.000	1	107.9717	0.004	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6,6a]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9985	0.062	2	107.9717	0.004	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]N[5])(C[6]C[6]HH)(H)2{2|Br<1>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.3330	0.057	2	107.3330	0.003	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0670	0.000	1	108.0670	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	106.9380	0.000	1	106.9380	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	109.1710	0.000	1	107.9721	0.384	31	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	106.1600	0.000	1	107.9721	0.384	31	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.7040	0.000	1	107.9721	0.384	31	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.0995	0.314	26	107.9721	0.384	31	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5,6]N[5]2)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	106.7560	0.940	2	107.9721	0.384	31	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9640	0.000	1	107.8550	0.011	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.7530	0.000	1	107.8550	0.011	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|N<2>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8480	0.000	1	107.8550	0.011	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.2400	0.000	1	107.5365	0.176	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8330	0.000	1	107.5365	0.176	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8500	0.000	1	107.9295	0.011	6	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8770	0.033	2	107.9295	0.011	6	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.1250	0.000	1	107.9295	0.011	6	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9790	0.000	1	107.9295	0.011	6	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|P<4>,4|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8690	0.000	1	107.9295	0.011	6	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	110.5180	0.000	1	110.5180	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.5060	0.000	1	107.9560	0.739	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.4270	0.000	1	107.9560	0.739	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.2110	0.000	1	107.9560	0.739	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	106.6800	0.000	1	107.9560	0.739	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]N[5])(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8135	0.056	2	107.8135	0.003	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]C[5,6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.6125	0.071	2	107.6125	0.005	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.5420	0.383	5	107.5420	0.147	5	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,5|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8480	0.000	1	107.8480	0.000	1	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.5400	0.000	1	108.4135	0.032	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.2870	0.000	1	108.4135	0.032	2	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6,6]C[5,5]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8243	0.163	3	107.8243	0.027	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,5|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8725	0.234	2	107.9077	0.031	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.9780	0.000	1	107.9077	0.031	3	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	108.2440	0.000	1	107.9105	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|N<3>,3|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.7500	0.000	1	107.9105	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|N<3>,5|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8390	0.000	1	107.9105	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[5,5,6]C[6]H)	H(C[6]C[5,5,6]C[6]H)	107.8090	0.000	1	107.9105	0.051	4	107.8922	0.476	122	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[4,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2	H(C[6]C[5,6,6]C[4,6]H)	H(C[6]C[5,6,6]C[4,6]H)	C[6](C[5,6,6]C[5,5,3x6]C[5,6,6]H)(C[4,6]C[4,6]C[4]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[4,6]H)	H(C[6]C[5,6,6]C[4,6]H)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[5,6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2	H(C[6]C[5,6,6]2H)	H(C[6]C[5,6,6]2H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)2(H)2{2|Cl<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]2H)	H(C[6]C[5,6,6]2H)	108.2420	0.067	4	108.2420	0.005	4	108.2420	0.005	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]C)(C[6,6]C[5,6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.7733	0.094	3	107.7733	0.009	3	107.6761	0.018	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<4>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.5240	0.000	1	107.5240	0.000	1	107.6761	0.018	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6,6]C[6,6a]C[6,6]H)(H)2{1|N<4>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.5660	0.000	1	107.5660	0.000	1	107.6761	0.018	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]I)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.6800	0.121	10	107.6800	0.015	10	107.6761	0.018	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,8|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.4610	0.000	1	107.4610	0.000	1	107.6761	0.018	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,5|C<4>,7|H<1>}	H(C[6]C[5,6,6]C[6,6]H)	H(C[6]C[5,6,6]C[6,6]H)	107.8230	0.000	1	107.8230	0.000	1	107.6761	0.018	17	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,5,6,6]C[6,6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,7|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7980	0.058	3	107.7980	0.003	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,5,6]C[5,3x6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.8170	0.000	1	106.8170	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,5]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9590	0.000	1	107.9590	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1430	0.000	1	108.1430	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,3x6]C[5,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7230	0.000	1	107.7230	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5170	0.000	1	107.7040	0.070	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8910	0.000	1	107.7040	0.070	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0480	0.033	2	108.0369	0.006	7	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0515	0.103	2	108.0369	0.006	7	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1400	0.000	1	108.0369	0.006	7	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9595	0.023	2	108.0369	0.006	7	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]C)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1250	0.096	2	108.1250	0.009	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.2640	0.000	1	106.2640	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[3x5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7940	0.000	1	107.7940	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[5,6a]C[6,6a])(C[6]N[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0240	0.000	1	108.0240	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6070	0.000	1	107.6070	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.0310	0.000	1	106.0310	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9460	0.000	1	107.9460	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8795	0.063	2	107.8795	0.004	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	103.4320	0.000	1	105.6990	10.279	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9660	0.000	1	105.6990	10.279	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.3155	0.088	2	107.6300	1.414	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.2590	0.000	1	107.6300	1.414	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0620	0.000	1	109.0485	1.946	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	110.0350	0.000	1	109.0485	1.946	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.5250	0.000	1	108.5250	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.3830	0.000	1	106.3830	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8980	0.038	3	108.1940	1.600	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	110.3320	0.000	1	108.1940	1.600	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.9440	0.000	1	108.1940	1.600	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	111.3690	0.000	1	111.3690	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.7250	1.874	2	109.7250	3.511	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7470	0.000	1	107.7470	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1690	0.000	1	107.5640	0.732	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6,6]O[5,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.9590	0.000	1	107.5640	0.732	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2290	0.146	3	108.2290	0.021	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6960	0.000	1	107.6960	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5495	0.132	2	107.5495	0.017	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0195	0.100	4	108.1734	0.039	10	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.3895	0.054	4	108.1734	0.039	10	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0490	0.049	2	108.1734	0.039	10	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.0130	0.058	3	107.0130	0.003	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8415	0.047	2	107.7460	0.028	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5550	0.000	1	107.7460	0.028	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5,6]C[5,6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9702	0.063	4	107.9702	0.004	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,5]C[6,6]O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8240	0.003	4	107.8240	0.000	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9060	0.314	2	108.0790	0.075	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2520	0.083	2	108.0790	0.075	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8770	0.000	1	107.8770	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9020	0.000	1	107.9020	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1507	0.079	3	108.1507	0.006	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|O<2>,2|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1350	0.000	1	108.1350	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5100	0.267	3	107.5100	0.071	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9870	0.000	1	107.6110	0.136	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8195	0.033	2	107.6110	0.136	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.2145	0.016	2	107.6110	0.136	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]C[6])(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0250	0.000	1	108.0250	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7470	0.000	1	107.7470	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9510	0.000	1	107.9510	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2280	0.160	2	108.2280	0.026	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8500	1.516	2	107.8500	2.298	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5570	0.075	2	107.6947	0.028	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7960	0.000	1	107.6947	0.028	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8690	0.000	1	107.6947	0.028	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6320	0.000	1	108.0090	0.755	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6363	0.335	3	108.0090	0.755	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.5040	0.000	1	108.0090	0.755	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9615	0.032	2	107.9615	0.001	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.2340	0.000	1	107.4684	0.509	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9035	0.087	2	107.4684	0.509	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4750	0.000	1	107.4684	0.509	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5,6a]C[6])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8260	0.000	1	107.4684	0.509	5	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[4x6]HO)(H)2{1|C<3>,2|H<1>,3|O<2>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5810	0.000	1	107.5810	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7940	0.000	1	107.7940	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<3>,2|C<4>,2|N<3>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.1080	0.000	1	106.1080	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8225	0.088	2	107.9950	0.475	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9257	0.084	3	107.9950	0.475	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0872	0.959	6	107.9950	0.475	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.3060	0.000	1	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9590	0.000	1	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5580	0.000	1	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6720	0.000	1	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1160	0.093	3	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1640	0.054	2	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.4450	0.000	1	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.3060	0.985	4	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|O<2>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1290	0.000	1	108.1979	0.380	15	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6890	0.000	1	107.6890	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]N[6]HH)(H)2{1|S<4>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4695	0.070	2	107.4695	0.005	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>,3|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7300	0.000	1	107.7300	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0235	0.139	2	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|S<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8290	0.000	1	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6900	0.000	1	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|O<2>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.4617	0.078	3	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6120	0.000	1	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6320	0.000	1	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8725	0.142	2	108.2673	0.612	11	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0260	0.000	1	108.0260	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4220	0.000	1	107.4220	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.6240	0.000	1	106.9397	0.380	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	106.5450	0.000	1	106.9397	0.380	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6500	0.000	1	106.9397	0.380	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8420	0.000	1	107.8420	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8100	0.000	1	107.8100	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[5,6]CH)(H)2{2|C<4>,3|C<3>,3|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8600	0.000	1	107.8600	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0230	0.000	1	108.0230	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5730	0.000	1	107.7590	0.069	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9450	0.000	1	107.7590	0.069	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]CH)(H)2{1|I<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6429	0.099	14	107.6429	0.010	14	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7100	0.000	1	107.7100	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.3420	0.000	1	108.3250	1.933	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.3080	0.000	1	108.3250	1.933	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.3510	0.000	1	107.9903	0.219	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]N[5,6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2033	0.236	3	107.9903	0.219	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]CO)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7240	0.000	1	107.7240	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6925	0.023	2	107.6925	0.001	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5870	0.000	1	107.5870	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[4x6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1780	0.321	2	108.1780	0.103	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7400	0.000	1	107.7400	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0320	0.000	1	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9620	0.000	1	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1520	0.000	1	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1340	0.000	1	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	100.9861	10.844	2	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1410	0.000	1	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7230	0.000	1	106.2645	27.433	8	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6940	0.000	1	107.6995	0.000	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7050	0.000	1	107.6995	0.000	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2N[5,6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|N<2>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.7480	0.000	1	108.7480	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2O[5,6])(C[6]C[6]CH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	105.7740	0.000	2	105.7740	0.000	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]2O[6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8470	0.126	2	107.8470	0.016	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.8360	0.000	1	109.8730	2.151	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]3)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	110.9100	0.000	1	109.8730	2.151	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7580	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6910	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6970	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8270	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6526	0.128	11	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6845	0.022	2	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7870	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7720	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4470	0.004	2	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6950	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>,3|O<2>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6860	0.000	1	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7057	0.075	3	107.6720	0.014	26	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5887	0.292	3	107.5887	0.085	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0190	0.000	1	108.0190	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6460	0.187	4	107.6460	0.035	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|O<2>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0870	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	104.8530	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7500	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7570	0.148	2	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8340	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,6|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8920	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0520	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9330	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8750	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1080	0.000	1	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	110.2475	2.985	2	108.0302	2.432	13	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]O[6]HO)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0480	0.000	1	108.0480	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4740	0.000	1	108.3075	1.389	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.1410	0.000	1	108.3075	1.389	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0847	0.040	3	108.0847	0.002	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]CH)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9410	0.000	1	107.9410	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4740	0.020	2	107.7090	0.075	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9800	0.000	1	107.7090	0.075	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9080	0.000	1	107.7090	0.075	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.5629	0.105	8	107.6114	0.019	10	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7700	0.000	1	107.6114	0.019	10	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]N[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8410	0.000	1	107.6114	0.019	10	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[5,6]HH)(H)2{2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0930	0.000	1	108.0930	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|O<2>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9495	0.176	2	107.9495	0.031	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7700	0.000	1	107.7023	0.032	6	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|Br<1>,4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9310	0.000	1	107.7023	0.032	6	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4190	0.000	1	107.7023	0.032	6	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6980	0.110	3	107.7023	0.032	6	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]O[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1890	0.000	1	108.1890	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6]O[6,6]C[5])(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9030	0.000	1	107.9030	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6,6]HN)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.4700	0.151	2	107.4700	0.023	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8345	0.022	2	107.8345	0.000	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9875	0.231	2	107.9930	0.027	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5,6a]C[5,6]C[6,6])(C[6]N[6]HH)(H)2{1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0040	0.000	1	107.9930	0.027	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5a,6]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.2550	0.000	1	109.2550	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[5a,6]C[5,6]O[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9330	0.000	1	107.9330	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8500	0.000	1	107.8500	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.6110	2.157	2	108.7062	2.643	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8360	0.000	1	108.7062	2.643	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{5|C<4>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7670	0.000	1	108.7062	2.643	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9160	0.000	1	107.9410	0.001	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]N[5,6]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.9660	0.000	1	107.9410	0.001	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	105.4730	0.000	1	105.4730	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6620	0.000	1	107.6620	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	109.4310	0.000	2	109.4310	0.000	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]C[5])(C[6]O[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0390	0.000	1	108.0390	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6140	0.000	1	107.9460	0.220	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6,6]HH)(H)2{7|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2780	0.000	1	107.9460	0.220	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.0645	0.021	2	108.0645	0.000	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|S<3>,3|C<3>,5|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.6860	0.000	1	107.6860	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8710	0.000	1	107.8260	0.004	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8470	0.000	1	107.8260	0.004	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7930	0.079	2	107.8260	0.004	4	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.1055	0.190	2	108.1055	0.036	2	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8800	0.000	1	107.8800	0.000	1	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.2010	0.000	1	108.3373	0.017	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	108.4055	0.074	2	108.3373	0.017	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.8930	0.000	1	107.7653	0.017	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	C[6](C[5,6,6]N[5,6]O[5,6]C[6])(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6,6]C[6]H)	H(C[6]C[5,6,6]C[6]H)	107.7015	0.100	2	107.7653	0.017	3	107.8407	1.217	336	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2	H(C[6]C[5,6]B[6]H)	H(C[6]C[5,6]B[6]H)	C[6](C[5,6]C[5,6]C[5]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,1|P<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]B[6]H)	H(C[6]C[5,6]B[6]H)	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[3,6]C[3,6]O[3]H)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	107.6820	0.000	1	107.6820	0.000	1	108.8590	2.771	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[3,6]C[3]C[6]O[3])(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	110.0360	0.000	1	110.0360	0.000	1	108.8590	2.771	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[3,5,6]O[5]O)(C[5,6]C[3,5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.7510	0.000	1	107.7510	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[5,6]O[5]O)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.0250	0.000	1	108.0250	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	111.0540	0.000	1	111.0540	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[3,5]C[5,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.1560	0.000	1	108.1560	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[5,6]C[5]C[6]N[5])(H)2{1|N<3>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.1330	0.000	1	107.1330	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]C[5]O)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.7000	1.096	2	108.7000	1.201	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[5,5]O[5,6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.6706	0.070	5	107.6706	0.005	5	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.3160	0.000	1	107.4830	0.056	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{4|H<1>,6|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.6500	0.000	1	107.4830	0.056	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.6130	0.000	1	107.6130	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.5580	0.000	1	107.5580	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.2520	0.000	1	108.2520	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[5,6]C[6]O[5]2)(H)2{1|N<3>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.8117	0.062	3	107.8117	0.004	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,5]N[5,6]C)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.1300	0.000	1	108.1300	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{2|H<1>,7|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.2270	0.000	1	108.2270	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6]C[5]H)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.5870	0.000	1	107.5870	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.7840	0.000	1	107.7840	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[5,6]C[5,6]N[5]H)(H)2{9|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.7608	0.074	4	107.7608	0.006	4	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	110.5050	0.788	2	110.5050	0.620	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]O)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.8430	0.000	1	107.8430	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.5530	0.013	2	107.6580	0.033	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[6]O[5]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.8680	0.000	1	107.6580	0.033	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.1610	0.000	1	108.1610	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,3|H<1>,6|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.2940	0.000	1	108.2395	0.153	4	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.2820	0.000	1	108.2395	0.153	4	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|O<1>,2|H<1>,6|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.7170	0.000	1	108.2395	0.153	4	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.6650	0.000	1	108.2395	0.153	4	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.6690	0.000	1	108.8903	1.977	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.6080	0.000	1	108.8903	1.977	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]N[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,6|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	110.3940	0.000	1	108.8903	1.977	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)2(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]H)2(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.1813	0.179	4	108.1813	0.032	4	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Mo)2(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]C[5]Mo)2(H)2{1|Si<4>,2|H<1>,4|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.9710	0.000	1	107.9710	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]N[5,6]C[5]H)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.9220	0.000	1	107.9220	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6]O[5]H)(C[5,6]O[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.8760	0.000	1	107.8760	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])2(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]2C[6])2(H)2{1|C<4>,4|H<1>,8|C<3>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	105.3285	1.036	2	105.6737	0.894	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])2(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]2C[6])2(H)2{3|H<1>,9|C<3>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	106.3640	0.000	1	105.6737	0.894	3	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.8690	0.000	1	107.8690	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,2|O<2>,3|C<3>,6|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.1590	0.000	1	108.1590	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[5,6]C[5,6]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.4710	0.000	1	107.4710	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[5,6]C[5]N[5]O[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.7025	0.022	2	107.7025	0.000	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[5,6]N[5,6]C[5]C)(H)2{3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.5210	0.000	1	107.5210	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]2C[6])(H)2{2|C<4>,3|C<3>,8|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.1100	0.000	1	108.1100	0.000	1	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	107.8010	1.913	2	107.8010	3.661	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]2H)	H(C[6]C[5,6]2H)	108.4855	0.132	2	108.4855	0.017	2	107.9795	0.942	63	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8688	0.127	4	107.8688	0.016	4	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8170	0.000	1	107.8170	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2213	0.080	3	108.2345	0.005	4	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2740	0.000	1	108.2345	0.005	4	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[3,5]O)(C[6,6]C[5,6,6]C[5,6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7130	0.000	1	107.7130	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]C[5,6a]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,3|C<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8630	0.000	1	107.8630	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]N[5]C)(C[6,6]C[3x6]C[6]H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	105.9770	0.000	2	105.9770	0.000	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1585	0.012	2	108.0293	0.050	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{3|C<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7710	0.000	1	108.0293	0.050	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{2|C<3>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7150	0.000	1	107.7150	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8500	0.000	1	107.8500	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	109.0520	0.000	1	108.1467	0.817	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1440	0.000	1	108.1467	0.817	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.2440	0.000	1	108.1467	0.817	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[3x6]C[5,6]C)(H)2{3|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7105	0.053	2	107.7105	0.003	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|H<1>,8|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2413	0.065	3	108.2413	0.004	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,8|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4510	0.000	1	107.4510	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6,6]C[5,6]C[6,6]H)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9610	0.000	1	107.9610	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[3x6]O[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9390	0.000	1	107.9390	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5330	0.000	1	107.5330	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6270	0.303	2	107.1357	0.985	7	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7410	0.000	1	107.1357	0.985	7	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6930	0.000	1	107.1357	0.985	7	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	105.7345	0.548	2	107.1357	0.985	7	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7930	0.000	1	107.1357	0.985	7	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.6300	0.000	1	108.6300	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[3x6]O[6]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0840	0.000	1	108.0840	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8690	0.000	1	107.8690	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3580	0.000	1	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1570	0.000	1	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.0560	1.756	4	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,2|C<3>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8660	0.000	1	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.5600	0.000	1	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4970	0.000	1	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<4>,8|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5815	0.153	2	107.6205	1.234	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7655	0.066	2	107.7655	0.004	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]3)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4380	0.000	1	107.4380	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|H<1>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0793	0.039	3	108.0888	0.008	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,3|H<1>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2180	0.000	1	108.0888	0.008	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]N[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9880	0.000	1	108.0888	0.008	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,8|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.7700	0.000	1	108.7700	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,8|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6240	0.000	1	107.6240	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[3x6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3640	0.000	1	108.3640	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.3500	0.000	1	107.3500	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4450	0.000	1	107.4450	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.3880	0.000	1	107.3343	0.006	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.3253	0.071	7	107.3343	0.006	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.3350	0.000	1	107.3343	0.006	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4490	0.000	1	107.3343	0.006	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.2280	0.000	1	107.3343	0.006	11	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2360	0.000	1	108.2360	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]C)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3900	0.000	1	108.3900	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1407	0.040	3	108.1407	0.002	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7090	0.000	1	107.6145	0.018	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]3)(H)2{3|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5200	0.000	1	107.6145	0.018	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2210	0.064	2	108.2210	0.004	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6400	0.000	1	107.6626	0.009	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7340	0.000	1	107.6626	0.009	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5150	0.000	1	107.6626	0.009	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6630	0.000	1	107.6626	0.009	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7610	0.000	1	107.6626	0.009	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1980	0.000	1	108.0856	0.008	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0010	0.058	2	108.0856	0.008	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1140	0.010	2	108.0856	0.008	5	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6910	0.000	1	107.6910	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6500	0.000	1	107.6500	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8120	0.069	3	107.8120	0.005	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5900	0.000	1	107.5900	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7775	0.090	2	107.4043	0.422	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	106.6580	0.000	1	107.4043	0.422	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7720	0.000	3	107.7720	0.000	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6,6]2C)(H)2{1|O<2>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5290	0.000	1	107.5290	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]2P[6])(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.2270	0.000	1	107.2270	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]C[6]O[5]2)(C[6,6]C[6]3)(H)2{1|O<1>,2|N<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.3440	0.110	2	107.3440	0.012	2	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9190	0.028	3	107.9190	0.001	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7980	0.000	1	108.0557	0.066	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3120	0.000	1	108.0557	0.066	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<2>,1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0570	0.000	1	108.0557	0.066	3	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]C[5a]O[5])(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8850	0.000	1	107.8850	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6,6]C[6,6a]C[6,6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.0220	0.000	1	108.0220	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6,6]C[3x6]C[6]O)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.5650	0.000	1	107.5650	0.000	1	107.7402	0.355	119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.0500	0.000	1	106.0500	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0370	0.000	1	108.0370	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8570	0.108	3	107.7718	0.024	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5450	0.000	1	107.7718	0.024	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7430	0.000	1	107.7718	0.024	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7870	0.000	1	107.8947	0.009	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9300	0.000	1	107.8947	0.009	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9670	0.000	1	107.8947	0.009	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1880	0.180	2	108.1763	0.017	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1530	0.000	1	108.1763	0.017	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5190	0.000	1	107.5190	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5,6]N[5]O)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6530	0.000	1	107.6530	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0778	0.029	5	107.9741	0.037	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7950	0.000	1	107.9741	0.037	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1660	0.000	1	107.9741	0.037	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5940	0.000	1	107.9741	0.037	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8230	0.000	1	107.9741	0.037	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9113	0.053	3	107.9113	0.003	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0420	0.000	1	108.0050	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9680	0.000	1	108.0050	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4910	0.000	1	107.4910	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0130	0.000	1	108.0130	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[5]O[6])(C[6]C[6,6]CH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8795	0.056	2	107.8795	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9535	0.005	2	107.9535	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,5]N[5,6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6570	0.084	6	107.6570	0.007	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,6,6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5970	0.000	1	109.5970	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3,6]C[5]2)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0040	0.000	1	108.0040	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3205	0.108	2	108.6467	0.637	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7690	0.000	1	108.6467	0.637	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1770	0.000	1	108.6467	0.637	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[3x5]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1060	0.000	1	108.1060	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6020	0.232	2	107.6020	0.054	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5780	0.000	1	106.8790	0.977	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.1800	0.000	1	106.8790	0.977	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8200	0.000	1	107.8200	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[4,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9760	0.000	1	107.9760	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]C)(C[6]C[3x6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4540	0.000	1	106.4540	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9980	0.000	1	106.9980	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9930	0.000	1	107.9930	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5195	0.243	2	107.6697	0.054	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8200	0.117	2	107.6697	0.054	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,4x6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1240	0.000	1	108.1240	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6345	1.760	2	105.6345	3.098	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]C[5]H)(C[6]C[5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2364	2.367	5	108.2364	5.604	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5530	0.000	1	107.5530	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3400	0.000	1	107.3400	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9090	0.123	2	107.9469	0.044	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3110	0.000	1	107.9469	0.044	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8213	0.168	3	107.9469	0.044	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[5,6]HH)(H)2{2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0350	0.000	1	107.9469	0.044	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8710	0.000	1	107.8710	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.8490	2.923	2	111.8490	8.545	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5130	0.000	1	108.2062	0.162	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3440	0.000	1	108.2062	0.162	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4655	0.108	2	108.2062	0.162	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2430	0.000	1	108.2062	0.162	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.6710	0.000	1	106.6710	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8920	0.000	1	107.8920	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]F)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6450	0.000	1	107.6450	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8180	0.000	1	107.7597	0.127	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0830	0.000	1	107.7597	0.127	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[5,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3780	0.000	1	107.7597	0.127	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|C<4>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4290	0.068	2	107.5408	0.033	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6525	0.211	2	107.5408	0.033	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.9190	0.000	1	110.9190	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]C[6]N[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4850	0.000	1	108.4850	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5,6a]O)(C[6]N[6a]C[6]H)(H)2{1|H<1>,1|O<1>,2|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.2570	2.522	2	110.2570	6.358	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8945	0.035	2	107.8945	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7850	0.031	2	107.7850	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7650	0.000	1	107.7650	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8220	0.000	1	107.8220	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8045	0.081	2	107.6815	0.060	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7945	0.021	2	107.6815	0.060	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4430	0.105	4	107.6815	0.060	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1450	0.000	1	107.6815	0.060	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7000	0.000	1	107.6815	0.060	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3110	0.000	1	108.3110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5470	0.000	1	107.5470	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[5,6]HS)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1600	0.000	1	108.1600	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7160	0.057	2	107.7160	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5750	0.000	1	107.8971	0.569	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9669	0.845	11	107.8971	0.569	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{1|I<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6890	0.000	1	107.8971	0.569	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6590	0.000	1	107.8971	0.569	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5420	0.000	1	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7150	0.000	2	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8690	0.000	1	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8668	0.129	15	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7030	0.000	1	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6085	0.544	2	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5530	0.000	1	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8520	0.000	1	107.8403	0.056	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1270	0.000	1	108.1270	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	112.5450	0.000	1	112.5450	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5]S)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6180	0.068	2	107.6180	0.005	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8620	0.000	1	107.8620	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4920	0.000	1	108.4920	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8420	0.000	1	107.8420	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6505	0.330	4	107.6505	0.109	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5960	0.000	1	108.4730	0.649	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1290	0.000	1	108.4730	0.649	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6880	0.000	1	108.4730	0.649	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4790	0.000	1	108.4730	0.649	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]N[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1980	0.010	2	108.1980	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6510	0.000	1	107.6023	0.008	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5780	0.109	2	107.6023	0.008	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7660	0.000	1	108.7660	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0973	0.088	4	108.0973	0.008	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8625	0.092	4	108.1212	0.341	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1560	0.000	1	108.1212	0.341	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6920	0.000	1	107.6920	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]O[6]CH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8200	0.000	1	107.8200	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5,6]O[5]O)(C[6]C[5,6]CH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8637	0.175	4	107.8637	0.031	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7230	1.339	4	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0930	0.000	1	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9780	0.000	1	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9190	0.000	1	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9666	0.199	11	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1477	0.136	3	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9823	0.051	20	107.9660	0.155	41	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8080	0.000	1	107.7453	0.004	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7140	0.048	2	107.7453	0.004	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5730	0.000	1	107.5042	0.523	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9230	0.000	1	107.5042	0.523	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2430	0.000	1	107.5042	0.523	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7820	0.000	1	107.5042	0.523	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0000	0.000	1	107.5042	0.523	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	102.7600	1.205	2	106.1257	5.866	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2770	0.000	1	106.1257	5.866	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0170	0.000	1	106.1257	5.866	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7850	0.000	1	106.1257	5.866	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3120	0.000	1	106.1257	5.866	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.000	1	106.1257	5.866	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4620	0.000	1	107.9240	0.096	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6890	0.000	1	107.9240	0.096	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8125	0.078	2	107.9240	0.096	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8440	0.000	1	107.9240	0.096	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	101.4660	0.000	1	101.4660	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4930	0.000	1	108.4930	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0010	0.000	1	108.0010	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6220	0.000	1	107.6220	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]O[5])(C[6]C[3x6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8325	0.094	2	107.8325	0.009	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9600	0.000	1	107.9600	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3205	0.179	2	107.3205	0.032	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4060	0.000	1	107.4060	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7166	0.119	5	107.6744	0.019	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6392	0.151	6	107.6744	0.019	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9260	0.000	1	107.7544	0.033	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9610	0.000	1	107.7544	0.033	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7170	0.197	5	107.7544	0.033	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6590	0.089	2	107.7544	0.033	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6]C[6]OO)(H)2{1|O<1>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5940	0.027	2	107.5940	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7740	0.000	1	107.7740	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9808	0.112	4	107.9808	0.012	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6580	0.000	1	107.6420	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6260	0.000	1	107.6420	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9090	0.000	1	108.1590	0.048	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2580	0.000	1	108.1590	0.048	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3100	0.000	1	108.1590	0.048	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5]O[5,6]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9620	0.000	1	107.9620	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6473	1.216	6	107.6473	1.478	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1355	0.040	2	108.0911	0.002	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0550	0.031	3	108.0911	0.002	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1010	0.000	2	108.0911	0.002	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9310	0.000	1	107.9310	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,5a]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8215	0.100	2	107.8215	0.010	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3,5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9700	0.000	1	107.9700	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6170	0.000	1	107.6915	0.011	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[3]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7660	0.000	1	107.6915	0.011	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9730	0.000	1	107.8995	0.011	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8260	0.000	1	107.8995	0.011	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7010	0.000	1	107.7010	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]CH)(H)2{1|I<1>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9111	0.118	14	107.9111	0.014	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9400	0.000	1	107.9400	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5,6a]O)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0550	0.000	1	108.0550	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1890	0.000	1	108.1890	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[3,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8070	0.000	1	107.8070	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5565	0.169	2	107.5565	0.029	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1510	0.000	1	108.1510	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1650	0.000	1	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2550	0.000	1	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4720	0.000	1	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1460	0.000	1	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4373	0.027	3	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1865	0.073	2	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4433	0.081	3	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0215	0.373	2	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8701	0.740	9	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8810	0.000	1	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0920	0.882	2	107.8843	0.298	26	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6708	0.452	6	107.6708	0.205	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5430	0.000	1	108.0963	0.550	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3730	0.800	2	108.0963	0.550	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8900	0.000	1	107.8900	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5680	0.000	1	107.5680	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9820	0.000	1	107.2905	1.352	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.7110	1.523	3	107.2905	1.352	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0190	0.000	1	107.2905	1.352	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6090	0.000	1	107.2905	1.352	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4640	0.000	1	107.4640	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.5747	1.612	6	106.8238	2.068	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5710	0.000	2	106.8238	2.068	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8700	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9262	0.093	5	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1500	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6370	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3320	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0280	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.8300	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6910	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4465	0.004	2	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2240	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1675	2.048	2	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0525	0.045	2	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5280	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9920	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.6450	0.000	1	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3428	0.048	6	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	102.2407	6.637	2	107.8476	4.338	30	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6230	0.103	2	107.7240	0.961	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9330	0.000	1	107.7240	0.961	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.7205	0.400	2	107.7240	0.961	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]O[6]CC)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8485	0.077	2	107.8485	0.006	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4650	0.000	1	109.4650	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6120	0.112	2	107.6120	0.012	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4070	0.000	1	107.4070	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9812	0.130	4	107.9882	0.013	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0160	0.000	1	107.9882	0.013	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0820	0.021	2	107.2573	2.040	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6080	0.000	1	107.2573	2.040	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]2)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9400	0.025	4	107.9400	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5200	0.000	1	107.5200	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6243	0.015	3	107.6243	0.000	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1720	0.000	1	107.8195	0.249	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4670	0.000	1	107.8195	0.249	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9830	0.000	1	107.9830	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8490	0.000	1	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8000	0.000	1	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6700	0.000	1	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7110	0.000	1	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3560	0.000	1	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.8320	3.176	2	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0905	0.288	2	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(H)2{6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6770	0.000	1	107.7908	1.480	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[5,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7645	0.028	2	107.7645	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]N[6,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9970	0.016	2	107.9970	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8880	0.044	2	107.8880	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8010	0.000	1	107.7825	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7640	0.000	1	107.7825	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]N[5,6]HH)(H)2{5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0230	0.000	1	108.0230	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8910	0.089	2	107.8910	0.008	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3540	0.000	1	108.3540	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[5,6]HH)(H)2{6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5670	0.000	1	108.5670	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3830	0.000	1	108.3830	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2270	0.000	1	108.2270	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[6a]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]C[6a]N[5])(C[6]N[6]HH)(H)2{1|O<2>,1|S<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2740	0.000	1	108.2740	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.8510	0.000	1	108.8510	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6,6a]O[5]O)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3460	0.000	1	108.3460	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9520	0.000	1	108.0166	0.003	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0420	0.000	1	108.0166	0.003	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9580	0.000	1	108.0166	0.003	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9760	0.000	1	108.0166	0.003	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0020	0.000	1	108.0166	0.003	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0472	0.047	5	108.0166	0.003	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8970	0.116	2	107.8777	0.008	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8390	0.000	1	107.8777	0.008	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9930	0.000	1	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0960	0.008	2	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1140	0.000	1	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	103.2940	0.000	1	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5900	0.061	2	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6940	0.000	1	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0757	2.413	3	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4703	0.300	3	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8628	0.115	4	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2910	0.045	2	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6640	0.000	1	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0400	0.020	2	107.6036	1.696	23	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1350	0.000	1	108.1350	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3320	1.394	2	106.2703	3.184	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1570	0.000	1	106.2703	3.184	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.2600	0.000	1	106.2703	3.184	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9110	0.000	1	107.9110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9880	0.000	1	107.9880	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8380	0.000	1	108.1740	0.135	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0838	0.097	5	108.1740	0.135	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9610	0.000	1	108.1740	0.135	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8305	2.853	6	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6163	0.592	3	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8708	0.103	4	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9570	0.000	1	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9000	0.000	1	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3720	0.000	1	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4910	0.000	1	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9530	0.095	3	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8515	0.086	2	107.7999	2.082	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	112.4820	0.000	1	110.2660	9.821	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0500	0.000	1	110.2660	9.821	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]2O[5])(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9590	0.017	2	107.9590	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]B[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8633	0.059	3	107.8633	0.004	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[3x5,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1740	0.000	1	107.1740	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3250	0.000	1	107.2590	0.009	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[4x6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2260	0.105	2	107.2590	0.009	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9970	0.000	1	107.7430	0.129	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,5|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4890	0.000	1	107.7430	0.129	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7860	0.000	1	107.7065	0.017	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5450	0.000	1	107.7065	0.017	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6630	0.000	1	107.7065	0.017	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8320	0.000	1	107.7065	0.017	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7610	0.000	1	107.7650	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Br)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7690	0.000	1	107.7650	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4530	0.000	1	107.9594	0.454	13	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8415	0.550	11	107.9594	0.454	13	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7630	0.000	1	107.9594	0.454	13	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3,6,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4540	0.000	1	107.4540	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8120	0.035	2	107.8463	0.004	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9150	0.000	1	107.8463	0.004	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[4x6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1730	0.000	1	107.1730	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4030	0.000	1	107.4030	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7960	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8995	0.025	2	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.9935	3.026	2	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9905	0.073	2	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.1400	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6223	0.067	3	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0110	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1650	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.8890	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.0140	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2930	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9440	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1475	0.241	2	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.1700	0.000	1	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5268	0.947	5	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8125	0.074	2	108.3559	1.433	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4545	0.185	2	107.4337	0.018	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3920	0.000	1	107.4337	0.018	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|C<2>,1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5450	0.000	1	107.5805	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]C[6a]H)(H)2{1|H<1>,1|O<2>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6160	0.000	1	107.5805	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]FH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7860	0.000	1	107.7860	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0210	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7679	1.509	29	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.9970	2.239	3	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0750	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.5700	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2429	0.483	15	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0790	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8480	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3463	0.757	7	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|I<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1650	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1700	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1150	0.173	27	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8165	0.004	2	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9790	0.159	4	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1204	0.591	20	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5760	1.640	28	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6190	0.054	2	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9445	0.032	2	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1557	0.463	8	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8061	0.622	9	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9770	0.226	2	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7793	1.107	31	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2289	0.050	7	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8043	0.048	3	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0380	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1010	0.057	3	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7965	0.109	6	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0660	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8600	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7285	0.043	2	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0994	0.131	5	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0109	0.613	51	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7852	0.072	5	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4280	0.686	3	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2942	1.214	34	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.8440	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4158	1.971	25	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7678	0.443	9	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6310	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0370	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0265	0.153	4	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.8370	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8720	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3940	0.000	1	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9829	0.409	130	107.9365	0.892	492	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8010	0.000	1	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4850	0.000	1	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1972	0.855	4	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|F<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.4380	0.000	1	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8310	0.056	3	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8110	0.000	1	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.6077	5.659	4	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7500	0.000	1	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|Cl<1>,1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7322	0.090	6	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9870	0.099	2	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7110	0.000	1	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9130	0.035	2	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6940	0.047	2	108.2169	5.021	29	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9255	0.138	2	107.9292	0.037	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1470	0.000	1	107.9292	0.037	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7190	0.000	1	107.9292	0.037	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2520	0.000	1	108.2930	2.167	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3340	0.000	1	108.2930	2.167	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1940	0.000	1	107.8740	0.035	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7240	0.139	2	107.8740	0.035	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9400	0.000	1	107.8740	0.035	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8180	0.000	1	107.8740	0.035	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8440	0.000	1	107.8740	0.035	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9405	0.077	2	106.9405	0.006	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|B<3>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3600	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1780	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5480	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9220	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7930	0.129	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7491	0.187	9	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3110	0.085	4	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0360	0.081	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7302	0.108	13	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6560	0.037	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7505	0.012	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9555	0.207	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1410	0.109	4	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8206	0.742	16	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0648	0.106	4	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2420	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1013	0.230	3	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5015	0.142	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1940	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5403	0.165	4	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9047	0.021	3	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0555	0.066	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4000	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5740	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9065	0.128	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1490	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9630	0.054	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8758	0.161	4	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0700	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8490	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6070	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9204	0.168	5	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7790	1.120	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7840	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.4430	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7750	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9450	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4613	1.863	3	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1314	0.099	8	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8910	1.447	20	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1120	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7220	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.9485	2.688	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7100	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0375	0.057	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3630	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1173	0.046	3	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0260	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3193	0.108	3	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.6940	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0440	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0220	0.000	1	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8675	0.247	2	107.9135	0.722	156	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.0090	0.000	1	109.5915	4.019	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1740	0.000	1	109.5915	4.019	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7710	0.000	1	107.7710	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9280	0.000	1	107.9280	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6,6]HH)(H)2{1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9660	0.000	1	107.9660	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]N[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7080	0.000	1	107.7080	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4120	0.000	1	107.4120	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,7|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1220	0.000	1	107.1220	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5520	0.000	1	107.5520	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6735	0.061	4	107.7139	0.015	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6340	0.000	1	107.7139	0.015	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7040	0.000	1	107.7139	0.015	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9650	0.000	1	107.7139	0.015	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]B[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0780	0.000	1	108.0780	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.7180	0.000	1	105.7180	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2120	0.000	1	108.2120	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9410	0.598	3	108.4916	0.557	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]CH)(H)2{1|Fe<6>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8175	0.013	2	108.4916	0.557	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]FeH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]FeH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4143	0.231	3	108.4143	0.053	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1890	0.000	1	107.7969	1.496	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0787	0.065	6	107.7969	1.496	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|Fe<7>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	101.9480	0.000	1	107.7969	1.496	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2400	0.000	1	107.7969	1.496	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9948	0.100	15	107.7969	1.496	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1510	0.000	1	107.7969	1.496	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3]C[6]O)(H)2{1|C<3>,2|H<1>,8|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0915	0.187	2	108.0915	0.035	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8330	0.000	1	107.5660	3.075	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9590	0.000	1	107.5660	3.075	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4340	2.129	5	107.5660	3.075	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7170	0.000	1	107.7570	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[3x6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7970	0.000	1	107.7570	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[4,6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7415	0.012	2	107.7415	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7610	0.000	1	107.7610	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0240	0.008	2	108.0240	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]CC)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3230	0.000	1	108.3230	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]O)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8490	0.057	2	107.8490	0.003	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<1>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1720	0.000	1	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7230	0.000	1	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2050	0.000	1	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7603	0.542	3	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6370	0.000	1	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8340	0.040	2	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.8860	0.000	1	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8010	0.000	1	108.1248	0.929	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1850	0.000	1	107.9560	0.053	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7250	0.000	1	107.9560	0.053	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9580	0.000	1	107.9560	0.053	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5]O[6]H)(H)2{1|C<3>,1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8770	0.000	1	107.8770	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7280	0.000	1	107.7280	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8885	0.168	2	107.8543	0.011	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8200	0.024	2	107.8543	0.011	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HN)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9270	0.000	1	107.9270	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HO)(H)2{1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9940	0.000	1	107.9940	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]C[6]H)(H)2{1|C<3>,1|N<3>,1|O<2>,1|W<7>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3830	0.000	1	108.3830	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1000	0.000	1	108.1000	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1153	1.310	3	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4540	0.112	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4410	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4840	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9285	0.045	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4160	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8470	0.194	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9680	0.055	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6860	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8850	0.079	6	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8975	0.243	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2174	1.275	5	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1817	0.136	3	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4480	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4210	0.030	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6140	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5965	0.022	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5940	0.048	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9470	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7955	0.016	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7682	0.285	4	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3310	0.208	8	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.7040	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4493	0.067	6	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8243	0.137	3	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1390	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7280	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5717	0.057	4	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|Se<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5640	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8813	0.046	3	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5056	0.118	7	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5455	0.021	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7720	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1970	0.065	7	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1630	0.000	1	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5705	0.149	2	108.0997	0.333	94	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5815	0.045	2	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8880	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8863	0.070	3	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9050	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|C<4>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5673	0.027	3	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9950	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4380	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.0530	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3560	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7763	0.081	6	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2990	0.000	1	107.7674	0.094	21	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]C[5]H)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9285	0.005	2	107.9285	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3400	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9470	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1590	0.146	2	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0200	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3210	0.057	3	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6855	0.092	4	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0550	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9100	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0540	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0020	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1953	0.029	3	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2930	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9780	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1627	1.311	3	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9480	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2510	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0720	0.000	1	108.2210	0.188	27	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HN)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0160	0.055	4	108.0160	0.003	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2720	0.000	1	108.2490	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CC)(H)2{2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2260	0.000	1	108.2490	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2500	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6140	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6560	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|W<7>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2050	0.365	2	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3720	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	103.4904	5.148	4	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4120	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0610	0.753	5	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4570	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1940	0.000	1	106.7573	8.362	18	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3870	0.000	1	108.1793	0.036	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0755	0.087	2	108.1793	0.036	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1280	0.000	1	108.3195	0.073	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5110	0.000	1	108.3195	0.073	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]FH)(H)2{1|H<1>,2|F<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3555	1.088	2	109.3555	1.184	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0530	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1510	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7000	0.076	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2620	0.045	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9470	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2597	1.308	3	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5925	0.146	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6357	0.540	13	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5310	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6664	2.079	5	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8690	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1490	0.316	7	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2980	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8680	0.066	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8140	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0074	0.030	5	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0660	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7820	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0175	0.036	4	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9797	0.329	4	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.0710	0.146	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7875	0.111	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9200	0.450	3	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9760	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9590	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8686	0.217	5	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0780	0.045	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8490	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0585	0.624	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6620	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7180	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4680	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2675	1.641	4	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1480	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.4240	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1715	0.045	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6530	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9260	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5980	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1590	0.074	3	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,1|W<7>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.1510	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3935	0.030	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4010	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8210	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3797	0.331	3	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3030	0.636	6	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2980	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6660	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8510	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8770	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9590	0.164	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8757	0.719	22	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8660	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6445	1.066	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9235	6.229	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.1310	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.7180	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9540	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8805	0.037	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4080	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6850	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0185	0.037	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9004	0.141	5	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8880	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7800	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7668	0.462	4	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1860	0.454	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6990	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8930	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.5750	0.670	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.7920	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0130	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1250	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4980	0.020	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7919	0.077	8	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8720	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2815	0.043	2	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5780	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8530	0.000	1	107.8018	0.838	185	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5030	0.000	1	107.8380	0.884	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1730	0.000	1	107.8380	0.884	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5660	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.8320	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9090	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7190	0.075	2	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5700	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8230	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5440	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4020	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9730	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3930	0.000	1	108.0409	0.186	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]O[6]C)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6880	0.000	1	107.6880	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9185	0.071	2	107.9185	0.005	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1805	0.248	2	108.1805	0.062	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|N<3>,1|W<7>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1290	0.000	1	108.1290	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8110	0.000	1	107.7760	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7510	0.000	1	107.7760	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7990	0.000	1	107.7760	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7430	0.000	1	107.7760	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]CC)(H)2{1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8815	0.076	2	107.8815	0.006	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7400	0.000	1	108.0685	0.049	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1640	0.021	2	108.0685	0.049	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2060	0.000	1	108.0685	0.049	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0520	0.184	2	108.0520	0.034	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1280	0.000	1	108.1280	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]N)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3490	0.000	1	107.3490	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9930	0.095	3	107.9460	0.015	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(H)2{1|F<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8050	0.000	1	107.9460	0.015	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7440	0.000	1	108.4687	0.686	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0155	0.127	2	108.4687	0.686	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9820	0.000	1	108.4687	0.686	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5275	0.016	2	108.4687	0.686	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1905	0.084	2	108.1905	0.007	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|Br<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6190	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7540	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1070	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3440	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7560	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1080	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5420	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.7710	1.379	5	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.7810	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9955	2.092	2	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7373	0.094	3	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	113.3810	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0270	0.000	1	107.8238	2.954	20	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]O[6]C)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4445	0.029	2	107.4445	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5090	0.100	2	107.5090	0.010	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3390	0.369	4	108.3390	0.136	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1977	0.043	3	108.1977	0.002	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.6630	1.898	2	106.6630	3.602	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0750	0.014	2	108.0750	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2458	0.501	6	108.2730	0.381	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0170	0.126	2	108.2730	0.381	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3855	0.832	6	108.2730	0.381	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8160	0.128	3	107.8160	0.016	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1620	0.000	1	108.1015	0.007	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0410	0.000	1	108.1015	0.007	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9380	0.000	2	107.4749	5.508	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|Si<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.2248	3.909	4	107.4749	5.508	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{1|Si<5>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4800	0.000	1	107.4749	5.508	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0657	0.254	3	107.4749	5.508	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3342	0.650	5	107.4749	5.508	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8720	0.000	2	107.8720	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	104.0791	8.113	2	105.9426	26.575	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8060	0.113	2	105.9426	26.575	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,2|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7755	0.043	2	107.6917	0.022	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5240	0.000	1	107.6917	0.022	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1930	0.000	1	108.1930	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.7390	0.000	1	110.7390	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7965	0.091	2	107.9195	0.191	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5410	0.000	1	107.9195	0.191	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5440	0.000	1	107.9195	0.191	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9080	0.000	1	107.9080	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,1|S<4>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8440	0.000	1	107.8440	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]C[6a]P[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0925	0.042	2	108.0925	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[3x5]H)(C[6]C[6]HH)(H)2{1|Ga<6>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0210	0.000	1	108.0210	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9260	0.000	1	108.7240	3.374	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0220	0.000	1	108.7240	3.374	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.2240	2.410	3	108.7240	3.374	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6240	0.000	1	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0950	0.000	1	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9361	0.159	7	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2020	0.103	2	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0455	0.070	4	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0275	0.016	2	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|In<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2103	0.142	3	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9930	0.000	1	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3533	0.096	3	108.1082	0.043	24	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6003	0.716	3	108.6003	0.513	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8890	0.185	2	107.8890	0.034	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2130	0.000	1	108.2130	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5880	0.000	1	105.8387	11.355	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9740	0.000	1	105.8387	11.355	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	101.9540	0.000	1	105.8387	11.355	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9525	0.322	2	107.9525	0.104	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2380	0.000	1	108.1490	0.016	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6a]HH)(H)2{1|S<3>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0600	0.000	1	108.1490	0.016	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CC)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6290	0.177	2	107.6290	0.031	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8530	0.000	1	107.8530	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1110	0.000	1	108.1110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7770	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7010	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3670	0.335	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|P<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5160	0.085	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9610	0.409	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1431	0.389	27	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1590	0.065	3	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.2110	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.4165	4.225	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4043	0.016	3	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6320	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8360	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4829	0.465	18	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3900	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.8020	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5890	5.027	3	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1740	0.325	4	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4800	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.8420	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5640	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0339	0.178	7	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1790	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<3>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4333	0.054	3	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6637	0.090	4	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9220	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7590	0.182	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.096	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9385	0.067	4	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0765	0.025	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Ir<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6875	0.047	4	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4630	0.106	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9647	2.389	49	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4300	0.188	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6780	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.2032	2.047	8	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4240	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5785	0.595	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5863	0.942	3	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9110	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|Rh<8>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9110	0.110	4	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1446	0.502	5	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3475	1.003	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8005	0.226	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9590	0.000	1	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7480	0.174	2	108.4011	2.443	191	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3273	0.105	3	108.3136	0.265	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7785	0.042	2	108.3136	0.265	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2300	0.000	1	108.3136	0.265	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5512	0.711	5	108.3136	0.265	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2380	0.000	1	108.3136	0.265	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3710	0.000	1	107.2010	1.378	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0310	0.000	1	107.2010	1.378	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]N[6]HH)(H)2{1|H<1>,2|S<4>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3530	0.000	1	108.3530	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4530	0.219	2	108.4530	0.048	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7780	0.000	1	107.7780	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]O[6]HS)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8010	0.000	1	107.8010	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]N[5]O[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8845	0.021	2	107.8845	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|S<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4947	0.039	3	107.4947	0.002	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4490	0.000	1	107.4540	7.960	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.4590	0.000	1	107.4540	7.960	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9790	0.000	1	107.9790	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0260	0.034	2	108.5103	0.704	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[5,6]HH)(H)2{1|O<2>,6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4790	0.000	1	108.5103	0.704	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5755	0.081	4	107.5755	0.007	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[4,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.7590	0.000	1	106.7590	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[5a,6]HH)(H)2{1|N<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3200	0.000	1	108.3200	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|B<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0265	0.296	2	108.0860	0.124	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2728	0.070	5	108.0860	0.124	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4385	0.033	2	108.0860	0.124	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3260	0.030	2	108.0860	0.124	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9920	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8370	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,1|S<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1780	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8160	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1160	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3020	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0560	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9645	0.153	2	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3170	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0760	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9850	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2000	0.000	1	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7627	1.789	29	108.4981	2.430	42	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9705	0.011	2	107.9705	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.6405	3.142	2	109.8480	6.819	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3,5,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2630	0.000	1	109.8480	6.819	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[3x6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6830	0.000	1	107.6830	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	114.5630	0.000	1	114.5630	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6,6]CO)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7430	0.000	1	107.7430	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2646	0.175	5	107.2949	4.197	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.8060	2.131	4	107.2949	4.197	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,1|S<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2368	3.366	4	107.2949	4.197	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.000	1	107.2949	4.197	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9610	0.000	1	107.2949	4.197	15	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5a,6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9660	0.027	2	108.2572	0.153	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0455	0.009	2	108.2572	0.153	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7600	0.007	2	108.2572	0.153	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0637	0.032	3	108.3283	0.176	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4607	0.467	6	108.3283	0.176	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8390	0.747	2	107.8390	0.558	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5520	0.000	1	105.7469	35.055	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9590	0.123	2	105.7469	35.055	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8790	0.000	1	105.7469	35.055	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7720	0.192	2	105.7469	35.055	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	92.3351	0.000	1	105.7469	35.055	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3640	0.000	1	107.3640	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1940	0.142	3	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9665	0.466	2	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0010	0.134	2	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6860	0.151	2	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5770	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5910	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8820	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8340	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7300	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3680	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1000	0.096	2	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3860	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7900	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8600	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1120	0.122	2	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0270	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0270	0.061	6	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.8065	0.251	2	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6200	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8210	0.000	1	108.0160	0.092	34	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7970	0.066	2	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7880	0.016	2	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	100.0130	0.000	1	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7010	0.000	1	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7520	0.000	1	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8710	0.000	1	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7560	0.070	4	107.2109	5.211	12	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9140	0.000	1	107.9140	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9580	0.000	1	107.9580	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2050	0.000	1	108.2050	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9470	0.000	1	107.9470	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9620	0.000	1	107.9620	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.9590	0.000	1	109.8183	5.048	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	112.3680	0.000	1	109.8183	5.048	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1280	0.000	1	109.8183	5.048	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]CS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6680	0.000	1	108.6680	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0460	0.000	1	108.0460	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2170	0.000	1	108.2170	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[5,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9890	0.000	1	107.9890	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7290	0.000	1	106.9685	1.157	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2080	0.000	1	106.9685	1.157	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6290	0.000	1	107.9185	0.063	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7990	0.000	1	107.9185	0.063	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1850	0.000	1	107.9185	0.063	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0610	0.000	1	107.9185	0.063	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]O[5]O)(C[6]S[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6730	0.000	1	107.6730	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1668	0.052	4	108.1554	0.003	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1100	0.000	1	108.1554	0.003	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]O)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8370	0.000	1	107.8370	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]P[5]Ti)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]P[5]Ti)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9520	0.000	1	107.9520	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.6120	0.000	1	109.6120	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6480	0.000	1	108.5917	0.002	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]CH)(H)2{1|O<2>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5635	0.002	2	108.5917	0.002	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3875	0.037	2	107.9333	0.109	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6590	0.067	3	107.9333	0.109	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8905	0.015	2	107.9333	0.109	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5110	0.000	1	108.5110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]S[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7835	0.045	2	107.7835	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[4,6]C[6a]H)(H)2{1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2270	0.000	1	106.2270	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6110	0.000	1	107.6110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6445	0.064	6	107.6445	0.004	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1220	0.000	1	108.1992	0.594	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8740	0.110	2	108.1992	0.594	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5330	0.000	1	108.1992	0.594	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5930	0.000	1	108.1992	0.594	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1300	0.000	1	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0530	0.000	1	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9000	0.141	2	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2795	0.081	2	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9120	0.000	2	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8200	0.021	2	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.2656	0.579	5	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1520	0.000	1	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2415	0.040	2	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8965	0.230	2	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2300	0.000	1	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6100	0.000	1	108.3001	0.385	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.8680	0.608	2	106.8680	0.370	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7660	0.000	1	107.7660	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{9|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7870	0.000	1	107.7870	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9100	0.025	2	107.9100	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[6a])(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4880	1.688	4	106.4880	2.848	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8208	0.112	4	107.8208	0.012	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[5,5,6,6]BrH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2780	0.047	2	108.2780	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9100	0.000	1	108.1257	0.054	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0950	0.000	1	108.1257	0.054	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3720	0.000	1	108.1257	0.054	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7630	0.006	2	107.7455	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7610	0.000	1	107.7455	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6950	0.000	1	107.7455	0.001	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7630	0.102	5	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.0250	0.000	1	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1690	0.000	1	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0000	0.000	1	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1820	0.000	1	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9410	0.000	1	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6235	0.838	4	107.9019	0.306	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0930	0.000	1	108.0930	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8710	0.092	2	107.8710	0.008	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7920	0.000	1	107.7920	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8840	0.000	1	107.8840	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9250	0.000	1	107.9250	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6430	0.000	1	107.6430	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7210	0.000	1	107.7210	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1440	0.000	1	107.9835	0.052	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8230	0.000	1	107.9835	0.052	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3250	0.000	1	107.3250	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6890	0.000	1	107.6890	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]CO)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3550	0.000	1	107.3550	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7790	0.102	2	107.7836	0.011	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8375	0.108	2	107.7836	0.011	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7530	0.185	2	107.7836	0.011	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7460	0.000	1	107.7836	0.011	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	112.1100	0.000	1	112.1100	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7430	0.000	1	107.7430	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]CH)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1350	0.000	1	108.1350	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8390	0.000	1	107.8158	0.009	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|N<3>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8560	0.000	1	107.8158	0.009	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|N<4>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8420	0.000	1	107.8158	0.009	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9480	0.000	1	107.8158	0.009	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7050	0.021	2	107.8158	0.009	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8420	0.000	1	107.8420	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7690	0.000	1	107.7783	0.037	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7353	0.218	4	107.7783	0.037	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9600	0.000	1	107.7783	0.037	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[5a]H)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9060	0.000	1	107.9060	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6,6a]C[6a]C)(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3100	0.000	1	107.3100	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1395	2.700	2	107.1395	7.292	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8055	0.076	2	107.8055	0.006	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|N<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1380	0.000	1	108.1312	0.002	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]N[6]HH)(H)2{1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1290	0.053	3	108.1312	0.002	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6]C[5,6]CO)(H)2{1|O<1>,2|N<3>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4525	0.155	4	107.4525	0.024	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4425	0.078	2	107.4425	0.006	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8980	0.059	2	107.9197	0.006	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8545	0.006	2	107.9197	0.006	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]HH)(H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0065	0.009	2	107.9197	0.006	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1070	0.000	1	108.1070	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]N[6]CH)(H)2{2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8250	0.188	2	107.8250	0.035	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6150	0.020	2	107.6150	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0650	0.000	1	108.0650	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9543	0.093	3	108.7253	2.932	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3035	2.195	4	108.7253	2.932	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6,6a]CC)(H)2{5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8720	0.000	1	107.8720	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1670	0.000	2	108.1670	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0840	0.000	1	108.0840	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]N[5]S[6])(C[6]C[5a,6]C[6a]H)(H)2{1|S<4>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6930	0.000	1	107.6930	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1290	0.062	2	108.1290	0.004	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5,6a]O[5]O[6])(C[6]C[6,6a]HN)(H)2{1|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8820	0.000	1	107.8820	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9360	0.000	1	107.9360	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9070	0.000	1	107.8087	0.036	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|N<4>,1|S<2>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9300	0.000	1	107.8087	0.036	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5890	0.000	1	107.8087	0.036	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8540	0.000	1	107.8671	0.043	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,1|S<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8635	0.033	2	107.8671	0.043	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0970	0.000	1	107.8671	0.043	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9750	0.006	2	107.8671	0.043	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4420	0.000	1	107.8671	0.043	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2520	0.049	2	107.2520	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<2>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4215	0.105	4	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7340	0.000	1	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.0800	0.188	2	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7380	0.000	1	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0413	0.056	3	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ga<4>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1280	0.000	1	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{1|Ni<4>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1850	0.000	1	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CH)(H)2{2|N<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3430	0.000	1	107.5070	0.131	14	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]CO)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2580	0.000	1	107.2580	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|As<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8260	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7250	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|B<6>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8845	0.032	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6660	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Be<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8935	0.033	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9440	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.7878	1.766	4	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7960	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,8|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7035	0.895	6	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2140	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9120	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9232	0.088	8	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7660	0.008	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8440	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3680	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5270	0.069	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8250	0.031	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.6550	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9437	0.122	3	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7883	0.098	4	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9220	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8750	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0250	0.017	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ge<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8330	0.103	3	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2500	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9190	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<2>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9507	0.162	3	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.2020	1.928	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9345	0.008	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7685	0.070	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0265	0.061	4	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8090	0.087	3	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7180	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Ni<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9210	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<1>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7160	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7672	0.041	6	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,8|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7608	0.047	4	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<2>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8055	0.063	4	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<3>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7910	0.017	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8220	0.105	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8797	0.258	3	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Si<4>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8080	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9140	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8670	0.061	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7100	0.000	1	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7480	0.059	2	107.7717	0.492	101	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HN)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9090	0.000	1	107.9090	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9155	0.074	2	107.9155	0.006	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7310	0.000	1	107.7310	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2N[6])(C[6]C[6a]C[6]H)(H)2{1|S<4>,2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6270	0.000	1	107.6270	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2420	0.000	1	108.2420	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.8440	0.000	1	108.8243	1.085	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7620	0.000	1	108.8243	1.085	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]2O[6])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.8670	0.000	1	108.8243	1.085	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2170	0.000	1	107.8875	0.217	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5580	0.000	1	107.8875	0.217	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8360	0.000	1	107.4647	0.216	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]CH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2790	0.475	2	107.4647	0.216	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5470	0.339	2	107.7249	0.066	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8785	0.223	2	107.7249	0.066	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6205	0.105	2	107.7249	0.066	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6110	0.000	1	107.7249	0.066	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[5,6]HH)(H)2{1|N<3>,4|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0960	0.000	1	107.7249	0.066	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8010	0.000	1	107.9578	0.013	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0120	0.081	2	107.9578	0.013	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(H)2{1|N<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0060	0.000	1	107.9578	0.013	4	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CF)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5100	0.000	1	107.5100	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6890	0.000	1	107.6890	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<2>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8895	0.050	4	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1760	2.738	6	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0231	0.940	14	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8480	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8410	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0847	0.037	4	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2115	1.268	2	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9810	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6740	0.059	2	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9748	1.038	4	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2580	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8007	0.623	4	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8250	0.133	2	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2450	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4930	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,7|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8720	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6090	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8470	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8445	0.035	2	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4596	1.494	7	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8165	0.019	4	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8970	0.136	2	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1330	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4730	0.583	3	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8640	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8580	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9410	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<1>,4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7410	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0340	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6580	0.088	2	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9040	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,8|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4020	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9870	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6650	0.000	1	107.8521	1.056	81	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0215	0.087	2	108.0215	0.008	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4583	1.402	3	109.4583	1.966	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8380	0.000	1	107.8380	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.000	1	107.9690	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9110	0.000	1	107.9110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2630	0.000	1	107.2630	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]CH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5630	0.464	2	107.5630	0.215	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9640	0.000	1	107.9614	0.025	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9080	0.000	1	107.9614	0.025	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|N<2>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8515	0.006	2	107.9614	0.025	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2320	0.000	1	107.9614	0.025	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2865	0.070	2	107.2865	0.005	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7200	0.000	1	107.4662	0.027	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4487	0.034	3	107.4662	0.027	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2650	0.000	1	107.4662	0.027	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1660	0.000	1	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6675	0.036	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9930	0.168	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8850	0.114	3	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9300	0.069	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1480	0.562	15	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9155	0.153	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8550	0.000	1	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8337	0.069	3	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6352	0.416	4	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4110	0.000	1	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2890	0.000	1	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7620	0.000	1	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6715	0.036	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8725	0.057	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(H)2{4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3815	2.273	2	107.9151	0.437	44	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7250	0.000	2	107.7250	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.4750	0.000	1	106.4750	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0010	0.000	1	108.0010	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9450	0.000	3	107.9450	0.000	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]O[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7360	0.502	2	108.7360	0.252	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6,6]HH)(H)2{1|N<4>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9750	0.000	1	107.9750	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]C[6]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8590	0.024	2	107.8590	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6a]CH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5690	0.129	2	107.5690	0.017	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7590	0.000	1	107.6194	0.589	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9593	0.017	3	107.6194	0.589	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.8650	1.382	2	107.6194	0.589	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.000	1	107.6194	0.589	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[5,6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8080	0.000	1	107.8080	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6890	0.000	1	107.7720	0.014	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8550	0.000	1	107.7720	0.014	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9607	0.098	6	108.0264	0.014	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1052	0.093	5	108.0264	0.014	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.3530	0.000	1	107.3530	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0960	0.000	1	107.8441	1.529	19	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.0850	2.638	2	107.8441	1.529	19	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.3810	1.581	2	107.8441	1.529	19	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8870	0.090	13	107.8441	1.529	19	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4780	0.000	1	107.8441	1.529	19	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5a,6]C[5]O[5])(C[6]S[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7480	0.000	1	107.7480	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[5a,6]S[5]2)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6450	0.000	1	107.6450	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6310	0.000	1	107.6310	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0330	0.000	1	107.9862	0.058	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3220	0.000	1	107.9862	0.058	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8755	0.208	4	107.9862	0.058	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0165	0.334	2	107.9862	0.058	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8407	0.071	3	107.8407	0.005	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]O[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.4900	0.000	1	110.4900	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6,6a]N[5]2)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0780	0.000	1	108.0780	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9410	0.035	2	107.9410	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9630	0.105	2	107.9848	0.003	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0360	0.000	1	107.9848	0.003	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9945	0.037	2	107.9848	0.003	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9757	0.036	3	107.9848	0.003	8	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1260	0.000	1	107.9850	0.009	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9497	0.061	4	107.9850	0.009	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1570	0.000	1	108.1570	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9575	0.179	2	107.9575	0.032	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9973	0.094	7	107.9415	0.017	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9044	0.035	5	107.9415	0.017	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0105	0.018	2	107.9415	0.017	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9760	0.304	3	107.9415	0.017	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8483	0.109	4	107.9415	0.017	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8680	0.000	1	107.9415	0.017	22	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]N[5]S[5])(C[6]C[6a]S[6]H)(H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7545	0.128	2	107.7545	0.016	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0190	0.304	2	108.0323	0.047	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0590	0.000	1	108.0323	0.047	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[4,6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4120	0.000	1	109.4120	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0047	0.112	3	108.0047	0.013	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9535	0.009	2	107.9535	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0300	0.000	1	108.0300	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0610	0.057	2	108.1221	0.434	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8703	0.154	6	108.1221	0.434	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	110.6080	0.000	1	108.1221	0.434	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0357	0.072	6	108.1221	0.434	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7060	0.000	1	108.1221	0.434	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2030	0.000	1	108.1221	0.434	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7410	0.000	1	107.7410	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]CC)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4180	0.000	1	107.4180	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0930	0.000	1	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0675	0.200	2	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0690	0.000	1	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7555	0.045	2	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0380	0.093	2	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2270	0.000	1	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0465	0.081	2	108.0185	0.025	11	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6670	0.000	1	107.6670	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8800	0.000	1	107.8763	0.008	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8290	0.000	1	107.8763	0.008	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7995	0.153	2	107.8763	0.008	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8290	0.000	1	107.8763	0.008	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9530	0.065	2	107.8763	0.008	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9220	0.075	2	107.8763	0.008	9	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]CO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7380	0.000	1	107.7380	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1540	0.000	1	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.2645	3.714	2	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9893	0.025	6	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0723	0.065	3	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9607	0.074	3	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0440	0.000	1	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0610	0.000	1	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1620	0.000	1	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9490	0.000	1	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2828	1.369	76	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9690	0.148	2	108.2100	1.640	97	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CC)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5800	0.000	1	107.5800	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8480	0.000	1	107.8355	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8230	0.000	1	107.8355	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.2230	0.000	1	107.9319	0.327	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0511	0.115	15	107.9319	0.327	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0107	0.074	3	107.9319	0.327	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0607	0.026	4	107.9319	0.327	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]N[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0165	0.028	2	107.9319	0.327	25	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]2)(C[6]P[6]CC)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.1345	0.081	2	107.1345	0.007	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1220	0.000	1	108.0325	0.016	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9430	0.000	1	108.0325	0.016	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3995	0.671	2	108.3995	0.450	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]CH)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4530	0.000	1	107.4530	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]C[6]S[5]2)(C[6]N[6]HO)(H)2{1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5700	0.000	1	107.5700	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5,5]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9750	0.000	1	107.9750	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2110	0.044	3	108.2110	0.002	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1080	1.180	10	108.1080	1.392	10	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[5]O)(C[6]N[6]CC)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7050	0.000	1	107.7050	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0960	0.042	2	108.0960	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.4870	0.040	2	107.4870	0.002	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0175	0.008	2	108.0175	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[6]N[5])(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7395	1.628	2	108.7395	2.652	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.1975	0.950	4	106.7922	1.390	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5]C[6]O[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9815	0.013	2	106.7922	1.390	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,5a]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7890	0.000	1	107.7890	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8455	0.087	2	107.8455	0.008	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1250	0.000	1	108.1250	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6]N[6]CO)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.2110	0.000	1	111.2110	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8400	0.000	1	107.8400	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7040	0.000	1	107.7040	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.7460	0.976	2	108.1020	0.460	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7090	0.000	1	108.1020	0.460	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6760	0.000	2	108.1020	0.460	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0590	0.000	1	108.1020	0.460	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9760	0.000	1	107.9760	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	102.0760	0.000	1	102.0760	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1620	0.000	1	108.1620	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0440	0.000	1	108.0440	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5470	0.058	2	107.6993	0.044	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8390	0.000	1	107.6993	0.044	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7543	0.268	3	107.6993	0.044	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]ClC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.2680	0.000	1	109.2680	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9887	0.311	10	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2190	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4600	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3190	0.057	2	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0820	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9880	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1823	0.119	3	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	105.6750	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2149	0.142	11	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3110	0.014	2	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2810	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.9910	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9860	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4810	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2010	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1850	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3255	0.004	2	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3917	0.063	3	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6630	0.805	2	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9240	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1945	0.076	2	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5350	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0390	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.3820	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0460	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8020	0.000	1	108.2199	0.304	54	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2060	0.000	1	107.7847	0.134	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5740	0.041	2	107.7847	0.134	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7613	0.020	3	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9910	0.000	1	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.3900	1.882	2	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5305	0.339	2	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8393	0.122	6	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.5317	2.861	3	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8655	0.214	4	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.2108	3.475	8	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7095	0.258	4	107.5374	4.282	33	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6]H)(H)2{3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0500	0.000	1	108.0500	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7100	0.000	1	107.7100	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1118	0.204	5	108.1118	0.042	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]O)(C[6]N[6,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8160	0.105	2	107.8160	0.011	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[5]Si)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.5240	0.072	6	107.5240	0.005	6	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2080	0.000	1	108.2080	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<2>,2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	111.4700	0.000	1	111.4700	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]CC)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4210	0.000	1	109.4210	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]N[5]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0620	0.000	1	108.0620	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3400	0.000	1	108.3400	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1900	0.000	1	108.1900	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.3360	0.000	1	108.3360	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,2|H<1>,2|S<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.6220	0.000	2	108.6220	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.4130	0.000	1	108.4160	0.032	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.2380	0.000	1	108.4160	0.032	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.5970	0.000	1	108.4160	0.032	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]N[6,6]C[5]2)(C[6]C[6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6220	0.000	1	107.6220	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,5,6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0760	0.000	1	108.0760	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4770	0.000	1	109.4770	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9515	0.022	2	107.8466	0.019	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6140	0.000	1	107.8466	0.019	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8580	0.018	2	107.8466	0.019	5	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6a]O[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9910	0.000	1	107.9910	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]O[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1740	0.000	1	108.1740	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1480	0.000	1	108.1480	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9380	0.000	1	107.9380	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1023	0.077	3	108.1023	0.006	3	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0520	0.042	2	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0075	0.248	2	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9496	0.078	8	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1345	0.008	2	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	106.9600	0.000	1	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9900	0.000	1	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9200	0.000	1	107.9326	0.074	17	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8150	0.000	1	107.8150	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[5]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9230	0.146	2	107.9230	0.021	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]BrH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.6770	0.000	1	107.6770	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9910	0.000	1	107.9910	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0415	0.030	2	108.0415	0.001	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]N[5])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9175	0.009	2	107.9175	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]O[5])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8730	0.095	2	107.8730	0.009	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]P[5])(C[6]C[6]HH)(H)2{1|Se<1>,1|Se<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7420	0.000	1	107.7420	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]C[6a]Se[5])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8560	0.000	1	107.8560	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]N[5]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9715	0.138	2	107.9715	0.019	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]N[5]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1670	0.016	2	108.1670	0.000	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0560	0.000	1	108.0560	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0730	0.000	1	108.2489	0.179	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1260	0.121	4	108.2489	0.179	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.1810	0.000	1	108.2489	0.179	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9840	0.000	1	108.2489	0.179	7	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.9720	0.000	1	107.9720	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.9880	0.000	1	109.9880	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0700	0.000	1	108.0700	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]O[5]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.1000	0.000	1	108.1000	0.000	1	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[5,6]P[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|S<1>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	109.4175	0.698	2	109.4175	0.487	2	107.9463	1.209	3355	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	107.9260	0.000	1	107.9260	0.000	1	108.0547	0.028	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5,6]C[5]N)(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,4|H<1>,6|C<4>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	108.2440	0.000	1	108.2440	0.000	1	108.0547	0.028	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](C[5,6]C[5]C[6]S[5])(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	107.9940	0.000	1	107.9940	0.000	1	108.0547	0.028	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]N[6]H)	H(C[6]C[5,6]N[6]H)	108.1010	0.055	2	108.1010	0.003	2	108.1010	0.003	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]C[5]H)(S[6]C[5,6]OO)(H)2{1|N<2>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	108.2280	0.037	2	108.2280	0.001	2	108.0228	0.088	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5,6]O[5]C)(S[6]N[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	108.0360	0.000	1	108.0360	0.000	1	108.0228	0.088	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	C[6](C[5,6]C[5]C[6]N[5])(S[6]C[6]OO)(H)2{3|C<4>,8|H<1>}	H(C[6]C[5,6]S[6]H)	H(C[6]C[5,6]S[6]H)	107.5990	0.000	1	107.5990	0.000	1	108.0228	0.088	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[5x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2	H(C[6]C[5x6]C[6]H)	H(C[6]C[5x6]C[6]H)	C[6](C[5x6]C[4x6]2C[6,6])(C[6]C[6]HH)(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[6]C[5x6]C[6]H)	H(C[6]C[5x6]C[6]H)	108.7050	0.000	1	108.7050	0.000	1	108.7050	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2	H(C[6]B[6,6]C[6,6]H)	H(C[6]B[6,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]B[6,6]C[6,6]H)	H(C[6]B[6,6]C[6,6]H)	107.8130	0.079	2	107.8130	0.006	2	107.6882	0.037	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:B[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2	H(C[6]B[6,6]C[6,6]H)	H(C[6]B[6,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(B[6,6]C[6]O[6]2)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]B[6,6]C[6,6]H)	H(C[6]B[6,6]C[6,6]H)	107.5635	0.209	2	107.5635	0.044	2	107.6882	0.037	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(B[6]C[6a]2O[6])(H)2{2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	107.9440	0.000	1	107.9440	0.000	1	106.1129	4.748	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6]H)(B[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	104.7018	1.783	4	104.7018	3.181	4	106.1129	4.748	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]C[6]P)(B[6]C[6a]2C[6])(H)2{1|C<4>,5|C<3>,6|H<1>}	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	107.5960	0.000	1	107.5960	0.000	1	106.1129	4.748	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	C[6](C[6,6]C[6,6]P[6]H)(B[6]C[6a]2O[6])(H)2{1|C<4>,8|C<3>}	H(C[6]C[6,6]B[6]H)	H(C[6]C[6,6]B[6]H)	108.4430	0.000	1	108.4430	0.000	1	106.1129	4.748	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.3835	0.049	2	107.3835	0.002	2	107.4352	0.007	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[3,6]C[3]2C[6])(H)2{2|Cl<1>,2|C<4>,8|H<1>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.5460	0.000	1	107.5460	0.000	1	107.4352	0.007	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[3,6]C[3,6]O[3]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[3,6]C[6,6]H)	H(C[6]C[3,6]C[6,6]H)	107.4280	0.000	1	107.4280	0.000	1	107.4352	0.007	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[3x6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2	H(C[6]C[3x6]C[6,6]H)	H(C[6]C[3x6]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[3x6]C[4x6]O[6,6]O)(H)2{1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[3x6]C[6,6]H)	H(C[6]C[3x6]C[6,6]H)	107.7015	0.046	2	107.7015	0.002	2	107.7015	0.002	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[4,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2	H(C[6]C[4,6]C[6,6]H)	H(C[6]C[4,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[4,6]C[4]2C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[4,6]C[6,6]H)	H(C[6]C[4,6]C[6,6]H)	107.9005	0.019	2	107.9005	0.000	2	107.9005	0.000	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.1020	0.000	1	107.1020	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9020	0.000	1	107.9020	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[5,6]C[5,6]C[5]C)(H)2{1|O<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4510	0.000	1	107.4510	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[5,6]C[5,6]O[5]O)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9710	0.000	1	107.9710	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|O<2>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.4887	0.075	3	107.7416	0.124	5	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|Si<4>,1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1210	0.059	2	107.7416	0.124	5	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	109.9040	1.100	2	109.9040	1.211	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[5,6]C[5,5,6]O[5]H)(H)2{1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6240	0.000	2	107.6240	0.000	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6]O[5]2)(H)2{1|H<1>,2|C<3>,7|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	106.9430	0.000	1	106.9430	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3803	1.603	14	108.3803	2.569	14	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[5,6]O[5]H)(H)2{1|C<3>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1310	0.000	1	108.1310	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6220	0.000	1	107.6220	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]C)(H)2{3|H<1>,6|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7765	0.078	2	107.7765	0.006	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[5,6]O[5,6]C[5]H)(H)2{3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.2190	0.000	1	108.2190	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8890	0.000	1	106.7500	3.201	3	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|O<1>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6730	0.000	1	106.7500	3.201	3	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	104.6880	0.000	1	106.7500	3.201	3	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1620	0.212	2	108.1620	0.045	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.3095	0.067	2	109.4290	3.762	3	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[5,6]C[5]O[5]O[6])(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	111.6680	0.000	1	109.4290	3.762	3	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6120	0.048	3	107.6120	0.002	3	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.6930	0.000	1	107.7365	0.004	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.7800	0.000	1	107.7365	0.004	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]S[5]2)(H)2{1|C<3>,1|S<2>,3|H<1>,5|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	109.0740	0.000	1	109.0740	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8560	0.000	1	107.8560	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]C[5,6a]C[5,6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	104.5970	0.000	1	104.5970	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[5,6]O[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.8380	0.000	1	107.8380	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]O[5]2)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1140	0.000	1	108.1140	0.000	1	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	108.1590	0.000	1	108.0590	0.020	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[5,6]C[5,6]N[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[5,6]C[6,6]H)	H(C[6]C[5,6]C[6,6]H)	107.9590	0.000	1	108.0590	0.020	2	108.0141	1.650	53	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{4|C<3>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7590	0.000	1	107.7590	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[4x6]C[6]H)2(H)2{3|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	104.6810	0.000	1	104.6810	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.1870	0.047	3	110.0192	13.430	4	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,3x6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	115.5160	0.000	1	110.0192	13.430	4	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7920	0.000	1	107.7920	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]2)(H)2{1|O<2>,2|N<3>,3|C<4>,8|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0260	0.000	1	108.0260	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8390	0.000	1	107.8390	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.2900	0.000	1	108.2900	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0380	0.115	2	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.1340	0.000	1	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.1230	0.137	3	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0670	0.000	1	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8785	0.218	2	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0220	0.000	1	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.3370	0.000	1	108.0693	0.026	11	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6810	0.076	2	107.6663	0.004	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<1>,2|O<2>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6370	0.000	1	107.6663	0.004	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,7|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6830	0.000	1	107.7060	0.020	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{1|N<2>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.8590	0.000	1	107.7060	0.020	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.5760	0.000	1	107.7060	0.020	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]C)2(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.4420	0.000	1	107.4420	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|H<1>,2|O<2>,8|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.3260	0.000	1	108.3260	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2O)(H)2{1|C<3>,1|H<1>,2|O<2>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.1810	0.000	1	108.1810	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(H)2{1|O<2>,2|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.9970	0.000	1	107.9970	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.4430	0.000	1	108.3697	0.037	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{1|S<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.1520	0.000	1	108.3697	0.037	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]O[6]H)(H)2{2|H<1>,7|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.5140	0.000	1	108.3697	0.037	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2O[6])(H)2{1|C<3>,1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6970	0.000	1	107.6970	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.5973	0.060	3	107.5973	0.004	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6]2)(H)2{4|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7480	0.000	1	107.7480	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<3>,4|C<4>,5|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	105.9450	0.000	1	107.8508	0.762	8	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|C<4>,1|H<1>,1|N<4>,2|O<2>,5|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.5830	0.000	3	107.8508	0.762	8	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.9870	0.000	1	107.8508	0.762	8	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7580	0.020	2	107.8508	0.762	8	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]H)2(H)2{3|C<4>,8|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6090	0.000	1	107.8508	0.762	8	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.9110	0.000	1	107.9110	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]N[6,6]C[6]S)(H)2{1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.5940	0.000	1	107.5940	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)2(H)2{2|C<3>,2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	109.0285	1.751	6	108.8300	2.831	7	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]C[6]O)2(H)2{2|O<2>,4|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6390	0.000	1	108.8300	2.831	7	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]C)(C[6,6]C[6,6]O[6]O)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7720	0.000	1	107.7720	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)(C[6,6]C[6,6]2C)(H)2{1|O<2>,3|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.9370	0.000	1	107.9370	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6]O[6]H)2(H)2{1|O<2>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	109.0500	0.000	1	109.0500	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7300	0.362	2	107.7300	0.131	2	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])2(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6,6a]C[6]O[6])2(H)2{2|H<1>,7|C<3>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.6690	0.000	1	107.6690	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6,6]C[6]S[6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]C[6]O[6]2)(C[6,6]C[6]S[6]2)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.5170	0.023	2	107.5170	0.001	2	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|I<1>,2|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	108.0900	0.000	1	107.9767	0.010	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6,6]C[6]S[6]2)(H)2{1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.9200	0.000	2	107.9767	0.010	3	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,6|C<4>}	H(C[6]C[6,6]2H)	H(C[6]C[6,6]2H)	107.7560	0.000	1	107.7560	0.000	1	108.0789	1.485	68	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|B<5>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4017	0.132	3	107.4017	0.017	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4704	0.058	5	107.3569	0.195	46	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2077	0.712	16	107.3569	0.195	46	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4452	0.148	18	107.3569	0.195	46	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3285	0.233	4	107.3569	0.195	46	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|S<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4680	0.000	1	107.3569	0.195	46	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4730	0.061	2	107.3569	0.195	46	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5650	0.007	2	107.5650	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[4a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4925	0.061	4	107.4925	0.004	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5021	0.139	18	107.1216	0.873	27	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5155	0.100	2	107.1216	0.873	27	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4690	0.122	3	107.1216	0.873	27	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.9518	0.268	4	107.1216	0.873	27	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4105	0.203	2	107.4646	0.010	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4737	0.085	12	107.4646	0.010	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4573	0.072	4	107.4573	0.005	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<6>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3727	1.047	3	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Al<7>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4970	0.000	1	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4447	0.165	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6610	0.000	1	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0895	0.796	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4907	0.139	15	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7211	0.472	36	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4340	0.044	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Eu<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5860	0.000	1	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ge<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3630	0.097	3	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<7>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5590	0.000	1	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8075	0.011	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4491	0.047	9	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5030	0.000	1	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1558	0.735	21	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4685	0.089	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4498	0.150	6	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5351	0.131	7	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4858	0.133	20	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5355	0.006	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0855	0.193	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4723	0.037	3	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4870	0.081	3	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ra<20>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4895	0.060	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Rh<7>,1|H<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5000	0.160	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<7>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4663	0.088	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4535	0.198	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5420	0.000	1	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Sc<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6467	0.174	6	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8045	0.051	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Th<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5010	0.014	3	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,1|H<2>,1|O<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4865	0.238	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<10>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3745	0.071	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<11>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.7417	1.689	6	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5325	0.061	6	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4566	0.072	13	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4892	0.097	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ti<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4773	0.143	3	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Y<13>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4440	0.142	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,1|C<5>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5225	0.121	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4593	0.087	11	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3045	0.291	4	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6230	0.191	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4912	0.108	23	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9067	0.940	21	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5250	0.048	2	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5818	0.149	39	107.5026	0.308	321	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,3x6]C[6]2)(C[6]C[6]CC)(H)2{2|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0160	0.000	1	107.0160	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9360	0.000	1	107.9360	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9810	0.000	1	107.9810	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[3x6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1250	0.000	1	108.1250	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6385	0.062	2	107.6385	0.004	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0150	0.313	2	107.8468	0.170	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0440	0.000	1	107.8468	0.170	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0098	0.118	9	107.8468	0.170	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1370	0.000	1	108.1370	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9610	0.000	1	107.9213	0.002	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9015	0.033	2	107.9213	0.002	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{2|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2110	0.000	1	107.2110	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6740	0.000	1	107.7360	0.043	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8688	0.068	4	107.7360	0.043	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8500	0.000	1	107.7360	0.043	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9360	0.000	1	107.7360	0.043	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5794	0.232	5	107.7360	0.043	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1060	0.000	1	107.8125	0.172	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5190	0.000	1	107.8125	0.172	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1370	0.000	1	108.2255	0.016	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3140	0.000	1	108.2255	0.016	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2550	0.000	1	108.2550	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0700	0.000	1	108.0700	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8028	0.133	6	107.8028	0.018	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6800	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0140	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4120	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4467	0.046	3	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7385	0.076	2	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4580	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7240	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5920	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7420	0.000	1	108.5366	0.841	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3730	0.000	1	108.1528	0.039	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2760	0.035	2	108.1528	0.039	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1669	0.049	8	108.1528	0.039	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5740	0.000	1	108.1528	0.039	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2010	0.000	1	108.2010	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7470	0.000	1	107.7470	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[3x6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3960	0.000	1	109.3960	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3395	1.247	2	106.3395	1.554	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1800	0.000	1	108.1800	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8040	0.000	1	107.8040	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1125	0.144	4	108.1125	0.021	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8300	0.000	1	107.8300	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4350	0.000	1	106.4350	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7580	0.000	1	107.7580	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0220	0.000	1	108.0220	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3,6]C[6,6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.8480	0.000	1	110.8480	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9100	0.000	1	107.9100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.037	8	107.7404	0.005	34	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.000	1	107.7404	0.005	34	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7000	0.000	1	107.7404	0.005	34	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7670	0.028	4	107.7404	0.005	34	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7340	0.000	1	107.7404	0.005	34	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7262	0.093	19	107.7404	0.005	34	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0990	0.164	2	108.0990	0.027	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7980	0.000	1	107.8790	0.013	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9600	0.000	1	107.8790	0.013	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0167	0.054	3	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8415	0.019	2	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9410	0.000	1	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0120	0.000	1	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0260	0.000	2	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7500	0.000	1	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0314	0.153	5	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0300	0.095	5	107.9898	0.014	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[3,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.000	1	107.7590	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.000	1	107.9000	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6910	0.000	1	107.6910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3670	0.000	1	107.3670	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5687	0.918	9	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.8460	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8620	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6970	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9210	0.243	2	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6450	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8350	0.028	2	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0220	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9087	0.039	3	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9240	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7900	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8910	0.113	2	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6270	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6760	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6250	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7380	0.000	1	107.8134	0.420	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0750	0.000	1	106.0750	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HN)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0390	0.000	1	107.0390	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]N[5a,6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2855	0.160	4	107.2855	0.026	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[3x6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0360	0.000	1	108.0360	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3260	0.000	1	107.8865	1.311	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5300	0.000	1	107.8865	1.311	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8450	0.126	2	107.8865	1.311	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.5720	0.000	1	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6490	0.000	1	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2940	0.677	2	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8815	0.069	4	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9365	0.009	2	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7670	0.000	1	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5740	0.000	1	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9990	0.000	1	108.2729	1.376	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8630	0.000	1	107.8630	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.6520	0.000	1	110.6520	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7410	0.083	2	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0670	0.000	3	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6686	0.120	5	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9270	0.000	1	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8840	0.000	1	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7510	0.000	1	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6420	0.000	1	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8950	0.000	1	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9150	0.000	2	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3940	0.000	1	107.5749	0.399	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8820	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0810	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7400	0.107	3	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8010	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8716	0.138	13	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.6100	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1110	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9940	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2720	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0200	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1003	0.035	12	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.4180	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7890	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5683	0.117	3	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1600	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9787	0.249	3	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8160	0.018	2	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1680	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9605	0.053	2	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0160	0.097	7	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1867	0.045	3	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2410	0.093	4	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1035	0.156	2	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1065	1.272	2	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1087	2.772	3	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0380	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9465	0.226	4	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9300	0.066	2	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.6630	1.169	3	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0721	0.354	10	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2130	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1090	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5060	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8970	0.000	1	107.9027	0.671	95	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0550	0.050	4	108.0550	0.002	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2360	0.004	2	108.6587	0.536	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]N[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5040	0.000	1	108.6587	0.536	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2090	0.000	2	108.2090	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8960	0.000	1	107.8725	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]N)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8490	0.000	1	107.8725	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4450	0.000	1	108.3873	0.850	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7520	0.000	1	108.3873	0.850	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9650	0.000	1	108.3873	0.850	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[5,6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5720	0.000	2	106.5720	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4910	0.000	1	109.4910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9600	0.000	1	107.9590	0.005	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|S<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9585	0.095	2	107.9590	0.005	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1970	0.000	2	108.1351	0.067	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9225	0.040	2	108.1351	0.067	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3277	0.148	4	108.1351	0.067	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6660	0.000	1	108.1351	0.067	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]C[6]HO)(H)2{2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2910	0.000	1	108.2910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]H)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1400	0.000	1	108.1400	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[3x6]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0240	0.000	1	108.0240	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5830	0.000	1	108.5830	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]C)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6020	0.000	1	107.6020	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4530	0.000	1	108.4530	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7330	0.111	3	107.7330	0.012	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9737	0.061	3	107.9737	0.004	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1280	0.000	1	108.1280	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[5,6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9940	0.000	1	107.9940	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7980	0.000	1	107.7260	0.010	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6540	0.000	1	107.7260	0.010	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1200	0.000	1	108.1200	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1500	0.000	1	108.1500	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5837	0.198	3	107.5837	0.039	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4170	0.000	1	107.4170	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0845	0.036	2	107.5460	0.871	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[4x6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4690	0.000	1	107.5460	0.871	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6,6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5820	0.000	1	107.5820	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5800	0.000	1	107.6938	0.056	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8447	0.117	3	107.6938	0.056	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3550	0.000	1	107.6938	0.056	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0470	0.055	2	108.0590	0.002	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0830	0.000	1	108.0590	0.002	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,3x6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0100	0.071	5	108.0100	0.005	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,3x6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6470	0.000	1	107.6470	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[5,6]H)(C[6]C[5,6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.2080	0.000	1	105.2080	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7800	0.000	1	107.7800	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9890	0.000	1	107.9890	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3200	1.136	2	108.1374	3.141	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4750	1.424	2	108.1374	3.141	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0970	0.000	1	108.1374	3.141	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5770	0.000	1	107.7715	0.037	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6255	0.129	2	107.7715	0.037	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9202	0.135	17	107.7715	0.037	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6440	0.132	16	107.7715	0.037	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7790	0.000	1	107.5255	0.129	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2720	0.000	1	107.5255	0.129	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8350	0.000	1	107.8495	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8640	0.000	1	107.8495	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.000	1	107.8220	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7990	0.134	2	107.6110	0.113	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7230	0.000	1	107.6110	0.113	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1230	0.000	1	107.6110	0.113	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1050	0.000	1	108.1050	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2185	0.073	2	108.2185	0.005	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4810	0.000	1	107.2195	0.137	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[4x6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9580	0.000	1	107.2195	0.137	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6,6]HH)(H)2{1|N<3>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9705	0.046	2	107.9705	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4550	0.000	1	108.3967	0.534	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3130	0.000	1	108.3967	0.534	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9140	0.000	1	108.3967	0.534	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9050	0.000	1	108.3967	0.534	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]H)(C[6]N[6]HH)(H)2{2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5430	0.000	1	109.5430	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1475	0.210	2	107.1698	0.026	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5,6]O)(C[6]C[5,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1847	0.173	3	107.1698	0.026	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[5a,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9160	0.000	1	107.9160	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8590	0.007	2	107.4406	0.287	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7180	0.000	1	107.4406	0.287	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8680	0.000	1	107.4406	0.287	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8990	0.000	1	107.4406	0.287	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5095	0.045	2	107.5095	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8040	0.000	1	107.8040	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7670	0.000	1	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9320	0.206	2	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9405	0.286	2	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8825	0.018	2	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8840	0.000	1	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0150	0.000	1	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9355	0.262	4	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6620	0.000	1	107.8873	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6290	0.079	4	107.6290	0.006	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[3x5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3813	0.169	3	107.3813	0.028	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6590	0.320	5	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5337	0.202	3	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7697	0.075	10	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5517	0.181	3	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8000	0.173	3	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8860	0.000	1	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4094	2.182	5	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8550	0.000	1	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8910	0.000	1	107.5415	0.932	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.000	1	107.7590	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9525	0.009	2	107.9648	0.207	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7475	0.395	2	107.9648	0.207	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0158	0.526	9	107.9648	0.207	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7200	0.000	1	107.7200	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6160	0.000	1	107.7664	0.069	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4070	0.000	1	107.7664	0.069	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8510	0.000	1	107.7664	0.069	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8610	0.000	1	107.7664	0.069	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0970	0.000	1	107.7664	0.069	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4010	0.000	1	107.4010	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4410	0.000	1	109.4410	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7650	0.000	1	107.7650	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9250	0.000	1	107.9250	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]C[6a]H)(H)2{1|C<4>,1|N<3>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6090	0.000	1	107.6090	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1300	0.000	1	108.1300	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9065	0.078	2	107.9928	0.016	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0790	0.106	2	107.9928	0.016	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4700	0.000	1	108.4700	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4140	0.000	1	107.4140	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]CO)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3150	0.000	1	107.3150	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7100	0.000	1	107.5503	0.204	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4580	0.000	1	107.5503	0.204	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5790	0.127	3	107.5503	0.204	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5710	0.755	4	107.5503	0.204	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3140	0.000	1	107.5503	0.204	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2740	0.000	1	108.2740	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7520	0.000	1	107.7520	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4130	0.000	1	107.4130	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]ClH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7565	0.077	2	107.7565	0.006	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8805	0.025	2	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6380	0.018	2	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6400	0.000	2	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6320	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6970	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8000	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5720	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5020	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8115	0.197	2	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9264	0.144	5	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8972	0.103	5	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7870	2.211	3	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8490	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5060	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4460	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7720	0.084	3	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.6460	0.000	1	107.9511	0.652	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]HI)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6690	0.177	2	107.6690	0.031	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2070	0.000	1	107.2070	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,5,6]BrH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8370	0.000	2	107.8370	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7065	0.032	2	107.7065	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5950	0.000	1	107.5950	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4810	0.000	1	107.8138	0.075	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7080	0.000	1	107.8138	0.075	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6625	0.050	2	107.8138	0.075	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1420	0.081	4	107.8138	0.075	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5690	0.081	2	107.8138	0.075	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7320	0.000	1	107.8138	0.075	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1830	0.036	3	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1397	0.085	3	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2715	0.006	2	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1400	0.000	1	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2080	0.000	1	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9050	0.000	1	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8500	0.000	1	108.1345	0.018	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7700	0.000	1	107.7700	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1910	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4140	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9630	0.091	2	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1360	0.235	3	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3700	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1340	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.7512	1.080	4	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6505	0.520	4	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6120	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6660	0.013	2	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6220	0.131	5	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1190	0.023	2	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0600	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2000	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1050	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.5987	5.871	2	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0630	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0570	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6130	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2260	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9110	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9030	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8330	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9470	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8970	0.000	1	107.5736	1.924	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8320	1.451	2	108.8320	2.105	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6970	0.000	1	108.6970	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7270	0.000	1	107.7270	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7105	0.039	2	107.7105	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6815	0.053	2	107.6815	0.003	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8100	0.000	1	107.8100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.000	1	107.9905	0.126	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0063	0.433	3	107.9905	0.126	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6,6a]N[5]H)(H)2{2|C<4>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5120	0.000	1	108.5120	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6,6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4340	0.000	1	107.4340	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6990	0.000	1	107.6990	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0340	0.000	1	107.5617	0.082	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3820	0.000	1	107.5617	0.082	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5973	0.224	3	107.5617	0.082	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3620	0.232	2	107.5617	0.082	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]N[6]O)(C[6]C[6]CH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0600	0.000	1	108.0600	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5305	0.118	2	107.5305	0.014	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8570	0.000	1	107.8630	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8690	0.000	1	107.8630	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2350	0.000	1	108.2350	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]CH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.9730	0.000	1	104.9730	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4004	0.096	10	108.3884	0.010	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2680	0.000	1	108.3884	0.010	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8325	0.077	2	107.8325	0.006	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.000	1	107.5375	0.124	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{2|C<3>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2890	0.000	1	107.5375	0.124	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|S<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.7620	0.000	1	108.7813	2.969	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9530	0.000	1	108.7813	2.969	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6290	0.000	1	108.7813	2.969	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6610	0.037	2	107.6610	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8815	0.037	2	107.8815	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5556	0.366	7	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.4725	2.764	2	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5750	0.000	1	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7270	0.000	1	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6400	0.185	3	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9480	0.000	1	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7283	0.084	21	107.5638	0.519	36	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5878	0.129	6	107.5878	0.017	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]FH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8910	0.000	1	107.8910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8350	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8360	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1323	0.636	6	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9410	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7920	0.033	2	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9310	0.168	2	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0816	0.687	5	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8051	0.110	8	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6470	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9437	0.029	6	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7400	0.064	2	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8395	0.059	2	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.1030	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5093	0.950	3	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4570	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8190	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6305	0.081	2	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6285	1.223	2	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7884	0.074	7	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9310	0.090	5	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7460	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8420	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7763	0.041	8	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9820	0.000	1	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8601	0.043	11	107.9118	0.203	82	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6380	0.000	1	107.6033	0.023	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4390	0.000	1	107.6033	0.023	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7330	0.000	1	107.6033	0.023	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6a]C[6]H)(H)2{1|C<3>,1|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6660	0.000	1	107.6660	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0490	0.000	1	108.0490	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7432	0.117	5	107.7432	0.014	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,5,6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3370	2.557	3	109.3370	6.537	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9150	0.000	1	107.9150	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8375	0.118	2	107.8175	0.004	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8345	0.008	2	107.8175	0.004	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7540	0.000	1	107.8175	0.004	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[4x6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8070	0.000	1	107.8175	0.004	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8120	0.000	1	108.0847	1.328	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3097	1.503	7	108.0847	1.328	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6970	0.000	1	108.0847	1.328	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0720	0.000	1	108.0847	1.328	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8240	0.000	1	108.0847	1.328	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,4|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4430	0.000	1	108.0847	1.328	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0840	0.000	1	108.0010	0.005	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9595	0.005	2	108.0010	0.005	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2165	0.053	2	108.2165	0.003	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6467	0.130	3	107.6467	0.017	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]ClH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8900	0.202	3	107.8900	0.041	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]FH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0280	0.000	1	108.0280	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7000	1.162	2	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|F<1>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7490	0.162	7	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1973	0.290	3	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9370	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1630	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1729	1.275	81	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8328	0.117	9	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8678	0.111	6	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6870	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9460	0.047	2	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0723	0.398	3	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0405	1.637	2	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3557	0.863	3	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8010	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8810	1.454	2	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8891	0.141	10	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9778	0.062	5	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1181	0.597	7	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0680	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.7706	3.278	5	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6290	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9228	0.102	13	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0340	0.000	1	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9158	1.059	144	107.9955	1.176	311	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HN)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9230	0.000	1	107.8026	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8573	0.197	3	107.8026	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7410	0.000	1	107.8026	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7130	0.000	1	107.8026	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7362	0.058	5	107.8026	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8522	0.315	4	107.8026	0.033	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0780	0.110	2	108.2420	2.057	97	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1820	0.081	2	108.2420	2.057	97	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0062	0.068	4	108.2420	2.057	97	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2576	1.497	89	108.2420	2.057	97	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8350	0.000	1	107.2660	0.648	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.6970	0.000	1	107.2660	0.648	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4850	0.129	2	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5360	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6460	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4580	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6300	0.031	2	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8420	0.031	2	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1440	0.071	2	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0363	0.103	3	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4430	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.4740	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9490	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0520	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0810	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1003	0.074	7	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8620	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2300	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9730	0.000	1	107.8868	0.568	29	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0520	0.000	1	108.0520	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8577	0.091	3	107.8577	0.008	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[3,5,6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9280	0.000	1	107.9280	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9510	0.000	1	108.0585	0.023	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1660	0.000	1	108.0585	0.023	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0960	0.000	1	106.0960	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6233	0.069	3	107.6233	0.005	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5125	0.013	2	107.5125	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5880	0.000	1	107.3227	0.408	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6370	0.000	1	107.3227	0.408	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7430	0.000	1	107.3227	0.408	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HS)(H)2{2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2520	0.000	1	107.2520	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]C[6]N[6])(C[6]S[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6195	0.111	2	107.6195	0.012	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3310	0.000	1	108.3360	1.439	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.0770	0.000	1	108.3360	1.439	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9680	0.064	2	108.3360	1.439	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4310	0.000	1	108.4310	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6,6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7450	0.000	1	107.7450	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]O[6]2)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8500	0.000	1	107.8500	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5,6]S[6]2)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0033	0.142	4	108.0033	0.020	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[5,6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2370	0.000	1	108.2370	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8385	0.049	2	107.8385	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6,6a]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.000	1	107.9430	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9465	0.054	2	107.9465	0.003	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.000	1	107.9380	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[5a,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4440	0.000	1	108.4440	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4150	0.000	1	108.2915	0.031	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1680	0.000	1	108.2915	0.031	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1060	0.000	1	108.1060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4210	0.004	2	107.4210	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0310	0.000	1	108.0310	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8485	0.013	2	107.8485	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]C[5])(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6580	0.000	1	107.6580	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4690	0.000	1	108.4690	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0420	0.000	1	108.0990	0.006	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1560	0.000	1	108.0990	0.006	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8380	0.000	1	107.5752	0.219	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6,6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4877	0.531	3	107.5752	0.219	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8100	0.000	1	107.8100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7600	0.103	2	107.8004	0.015	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]N[6])(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8105	0.130	8	107.8004	0.015	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9520	0.034	2	105.9520	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.6200	0.000	1	110.6200	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.4800	0.000	1	110.4800	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1390	0.000	1	108.0530	0.015	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9670	0.000	1	108.0530	0.015	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[5]C[6]H)(H)2{1|H<1>,1|N<3>,2|C<4>,2|S<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5910	0.000	1	107.5910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.9020	0.000	2	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0023	0.283	3	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2300	0.000	1	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0140	0.000	1	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4890	0.140	2	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8320	0.000	1	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5580	0.000	1	108.3112	1.864	11	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0500	0.108	3	108.0848	0.009	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2030	0.000	1	108.0848	0.009	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0780	0.081	2	108.0848	0.009	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[5x6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.8100	0.000	1	110.8100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0150	0.000	1	107.9177	0.007	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[5,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8690	0.001	2	107.9177	0.007	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]O[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0100	0.000	1	108.0100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6,6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7665	0.094	2	107.7665	0.009	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9980	0.000	1	107.9980	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1520	0.000	1	108.1595	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1670	0.000	1	108.1595	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6,6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4360	0.000	1	108.4360	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[3,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6755	0.049	4	107.6755	0.002	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[4,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6730	0.078	2	107.6730	0.006	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.011	2	107.9138	0.244	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0058	0.611	4	107.9138	0.244	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7030	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5180	0.088	3	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6930	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8130	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6043	0.389	3	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	112.6240	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7330	0.603	10	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6860	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6960	0.000	1	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8167	0.581	3	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6485	0.037	2	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1213	1.258	4	107.9970	1.131	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6440	0.000	1	107.6852	0.003	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6990	0.061	3	107.6852	0.003	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7380	0.079	3	107.8067	0.022	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8896	0.136	5	107.8067	0.022	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[5a]O[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5980	0.000	1	107.8067	0.022	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5590	0.112	2	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9390	1.513	5	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6000	0.000	1	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6407	0.046	6	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0286	1.284	29	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6951	0.360	26	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6227	0.093	3	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6510	0.000	1	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0126	2.998	5	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7570	0.000	1	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.438	18	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5809	0.103	13	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7518	0.108	5	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7995	0.023	2	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6556	0.088	33	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7625	0.462	2	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5810	1.118	4	107.7887	0.769	156	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1930	0.000	1	107.1930	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7830	0.000	1	107.7830	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]CH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4620	0.004	2	107.4620	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.000	1	107.7590	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5740	0.069	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7880	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8375	0.008	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5665	0.245	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6980	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7476	0.115	5	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5907	0.730	71	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5757	0.096	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6570	0.105	7	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5570	0.064	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7236	0.127	13	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6447	0.270	118	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8105	0.070	4	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6735	0.476	40	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7410	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6953	0.129	4	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6735	0.083	4	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7191	0.114	17	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8661	0.592	28	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6943	0.018	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.3700	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7960	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8627	0.012	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6271	0.126	7	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.010	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7880	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7070	0.082	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|Cr<9>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	100.5610	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6295	0.028	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3696	1.840	16	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6260	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6940	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7910	0.021	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|I<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7890	0.038	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8885	0.131	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5730	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.8890	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8460	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6372	0.092	4	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8720	0.096	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0731	1.417	51	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3760	0.345	2	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9813	0.632	7	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7302	0.067	6	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8723	1.079	273	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8765	0.068	4	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6123	0.170	4	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8037	0.070	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6260	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8589	0.492	18	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6440	0.000	1	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5450	1.502	3	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8288	0.798	77	107.7852	0.823	834	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9004	0.168	5	107.7025	0.122	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5960	0.000	1	107.7025	0.122	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6685	0.040	2	107.7025	0.122	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5930	0.511	8	107.7025	0.122	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8470	0.006	2	107.7025	0.122	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5885	0.018	2	107.7025	0.122	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]N[5a]C[6]H)(H)2{1|C<3>,1|N<2>,1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7830	0.000	1	107.7830	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2C)(C[6]O[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0060	0.000	1	108.0060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]CH)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6500	0.000	1	107.6500	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8760	0.000	1	107.8760	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[3,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0020	0.000	1	108.0020	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9470	0.181	2	107.9470	0.033	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1100	0.000	1	108.1100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|Br<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8990	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8840	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8327	0.184	3	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9715	0.077	2	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3367	0.627	3	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5805	0.565	173	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3100	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4218	1.513	11	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5511	0.231	16	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5760	0.068	2	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8490	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0115	0.046	2	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9835	0.016	2	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6863	0.401	56	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3200	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0360	1.095	4	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7250	0.133	2	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9517	1.434	126	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1090	0.869	4	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0635	2.032	2	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7130	0.257	5	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0140	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3330	0.000	1	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4513	2.485	3	107.7435	0.928	424	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HN)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4460	0.000	2	107.4460	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1128	1.535	6	108.2224	2.472	128	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6950	0.000	1	108.2224	2.472	128	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8370	0.000	1	108.2224	2.472	128	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2855	1.572	120	108.2224	2.472	128	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[5a]O[6]H)(H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3040	0.000	1	108.3040	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8620	0.170	3	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.000	1	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8588	0.133	4	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8060	0.173	3	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7210	0.000	1	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.0985	4.168	2	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5191	0.091	7	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.000	1	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9229	0.322	28	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2880	0.007	2	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7067	0.118	6	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3180	0.000	1	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8840	0.000	1	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.9864	4.912	3	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2850	0.000	1	107.6354	1.704	64	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0530	0.000	1	107.8250	0.967	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5270	0.215	2	107.8250	0.967	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]HO)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9477	1.502	3	107.8250	0.967	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2540	0.000	1	107.9968	0.390	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0840	0.091	2	107.9968	0.390	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9670	0.302	4	107.9968	0.390	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0225	0.821	10	107.9968	0.390	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1710	0.000	1	107.9968	0.390	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2540	0.000	1	107.9968	0.390	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6a]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1410	0.000	1	108.1410	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6443	0.123	20	107.3645	1.965	38	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4067	0.063	3	107.3645	1.965	38	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6290	0.000	1	107.3645	1.965	38	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.7477	2.719	10	107.3645	1.965	38	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6360	0.045	2	107.3645	1.965	38	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CC)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1835	0.425	2	107.3645	1.965	38	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0250	0.000	1	108.0400	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9690	0.000	1	108.0400	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1260	0.000	1	108.0400	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]FH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8620	0.000	1	107.8620	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9965	0.030	2	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1210	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3504	1.139	11	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2180	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0183	0.109	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0645	0.043	4	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9510	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3015	0.019	2	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9410	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.9840	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3653	0.039	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6000	0.200	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9520	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9865	0.217	13	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0207	0.186	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4520	0.861	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4013	0.872	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8770	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	88.8565	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1260	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.8037	3.634	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9540	0.065	3	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7650	0.488	2	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8860	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1580	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0260	2.465	2	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9477	0.158	4	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1460	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7280	0.252	4	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.1200	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1620	0.113	2	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9644	0.153	8	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6740	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1450	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6680	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9810	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8665	0.073	2	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0260	0.000	1	107.7578	4.570	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9740	0.000	1	108.0440	0.037	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7680	0.000	2	108.0440	0.037	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1430	0.115	11	108.0440	0.037	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HO)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8105	0.230	2	108.0440	0.037	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6127	0.079	3	107.6127	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4155	2.382	2	106.4155	5.675	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2590	0.000	1	106.2590	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1090	0.000	1	108.1090	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]N[5a]C[6]H)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0330	0.000	1	108.0330	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1300	0.215	4	108.1300	0.046	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1420	0.047	2	108.1370	0.001	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1270	0.000	1	108.1370	0.001	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6740	0.077	3	107.6448	0.007	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5570	0.000	1	107.6448	0.007	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0100	0.000	1	108.0100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7750	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9260	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8090	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0760	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9880	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5320	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9010	0.000	1	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9315	0.011	2	107.8813	0.022	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4110	0.000	1	107.4110	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[5a]C[6])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6640	0.000	1	107.6640	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9230	0.000	1	107.9230	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4730	0.000	1	108.1920	0.756	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5720	0.000	1	108.1920	0.756	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9740	0.000	1	108.1920	0.756	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7490	0.000	1	108.1920	0.756	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]O[6]HH)(H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6980	0.000	1	107.6980	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9100	0.000	1	107.9100	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3850	0.000	1	107.4706	0.008	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4920	0.088	4	107.4706	0.008	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[3a]C[6]H)(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5960	0.000	1	107.5960	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.0680	0.000	1	108.3395	14.889	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[4,6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.6110	0.000	1	108.3395	14.889	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7700	0.000	1	107.7105	0.007	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6,6]HH)(H)2{1|H<1>,3|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6510	0.000	1	107.7105	0.007	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7515	0.415	2	107.7515	0.172	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7560	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5190	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8380	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5625	0.185	6	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5700	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7090	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7870	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9610	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4460	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8365	0.169	2	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	98.7664	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6255	0.005	2	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5982	0.080	9	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3560	0.037	2	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5030	0.000	1	107.3496	2.482	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6900	0.000	1	107.6900	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[5a,6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1115	1.631	2	107.1115	2.661	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7480	0.000	1	107.7480	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0240	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.095	4	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6740	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3100	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8610	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6067	0.157	9	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6520	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6920	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7470	0.205	5	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7275	0.234	2	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6820	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7233	0.437	34	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5030	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8070	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8960	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4900	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6115	0.094	2	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9070	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9752	0.061	5	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7740	0.165	4	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8900	0.075	3	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7830	0.000	1	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9255	0.019	2	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6695	0.004	2	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7120	1.089	2	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5757	0.093	4	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6599	0.072	7	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2701	0.962	9	107.6995	0.212	107	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5380	0.000	1	107.5110	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4840	0.000	1	107.5110	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5130	0.000	1	107.5130	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8795	0.005	2	107.8786	0.003	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9100	0.065	2	107.8786	0.003	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8140	0.000	1	107.8786	0.003	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3720	1.267	3	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7380	0.000	1	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5997	0.637	17	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0050	0.132	2	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2890	0.000	1	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4470	0.000	1	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.2070	0.000	1	107.8078	0.588	26	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3910	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7110	2.245	3	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5270	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8733	0.148	3	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8163	0.428	3	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0100	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4530	0.908	2	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6793	0.133	3	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6220	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7720	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3664	0.085	11	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3955	0.026	2	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.2000	0.013	2	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7150	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8490	0.000	1	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|C<4>,3|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7020	0.020	2	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{2|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5240	0.221	2	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5870	0.174	2	107.8305	0.861	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7830	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0340	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5690	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4184	0.067	7	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8420	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5664	0.566	5	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8110	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.3230	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9720	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2110	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8200	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7920	0.146	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9310	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7090	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6420	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7560	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6133	0.146	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7995	0.084	10	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6770	0.190	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5513	0.330	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.0445	3.062	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4378	0.767	13	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7055	0.136	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7160	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6009	0.073	8	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7460	0.010	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9295	0.033	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7520	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8635	0.052	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8916	0.232	9	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7975	0.283	11	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5820	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2040	0.702	24	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8950	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2922	0.791	5	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8562	1.111	25	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4537	0.725	18	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9855	0.062	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5900	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7930	0.082	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.6660	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.3690	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9270	0.030	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2020	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8683	0.102	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8160	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7867	0.079	4	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7940	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7620	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6955	0.343	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8720	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0520	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6880	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9540	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8060	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5180	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6290	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9460	0.202	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8733	0.135	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5240	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9335	0.078	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6040	0.137	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9690	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6805	0.054	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7672	0.133	4	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5620	0.198	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.040	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8400	0.051	3	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7588	0.044	5	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5163	0.648	6	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8370	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4208	0.923	5	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7346	0.080	7	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2852	0.711	4	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5455	0.080	13	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7490	0.049	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7165	1.811	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.3640	0.000	1	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8615	0.120	2	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9648	0.746	14	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7666	0.115	12	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5550	0.916	23	107.8229	0.538	324	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3010	0.000	1	108.1093	1.757	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7270	0.000	1	108.1093	1.757	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6127	1.887	3	108.1093	1.757	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7900	0.000	1	108.1093	1.757	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]C)(H)2{1|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5500	0.000	1	107.5500	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|O<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9530	0.000	1	107.9530	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[5,6]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7950	0.000	1	107.7950	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6680	0.000	1	107.6680	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6430	0.000	1	107.6430	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]N[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4823	0.093	3	107.4823	0.009	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2450	0.000	1	108.2450	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5200	0.000	1	107.5200	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]ClH)(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2480	0.000	1	108.2480	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8500	0.000	1	107.8283	0.001	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cl)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8175	0.019	2	107.8283	0.001	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4060	0.000	1	109.4060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1550	0.034	2	108.0067	0.067	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7100	0.000	1	108.0067	0.067	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9220	0.056	6	107.9220	0.003	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0460	0.123	3	108.0460	0.015	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0750	0.000	1	108.0750	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4780	0.000	1	108.5667	0.623	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1110	0.024	2	108.5667	0.623	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5340	0.518	3	107.7365	0.343	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HH)(H)2{3|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3440	0.000	1	107.7365	0.343	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3,6]HO)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6950	0.000	1	107.6950	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x4]C[6]H)(H)2{4|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2130	0.000	1	107.2130	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9740	0.000	1	108.1070	0.015	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1735	0.056	2	108.1070	0.015	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,5,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9803	0.067	3	107.9803	0.004	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6,6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1525	2.174	2	108.1525	4.728	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5200	0.000	1	107.5200	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4]C[6]H)(H)2{1|Fe<7>,4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5178	0.079	9	107.5178	0.006	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]CH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2190	0.000	1	108.2190	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1000	0.076	8	107.9413	0.140	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9134	0.478	9	107.9413	0.140	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4057	0.078	3	107.9413	0.140	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[4x6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1373	0.044	3	107.9413	0.140	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1837	0.060	3	107.9770	0.044	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8230	0.141	5	107.9770	0.044	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,3x6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1270	0.000	1	107.9770	0.044	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0140	0.000	1	108.0140	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2030	0.072	2	108.2030	0.005	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,5,6]HO)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3660	0.000	1	107.3660	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4670	0.000	1	107.4670	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1580	0.100	3	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9040	0.000	1	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7190	0.000	1	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1157	0.244	18	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1710	0.000	1	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8833	0.416	3	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8965	0.116	4	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2430	0.000	1	108.0884	0.082	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3025	0.095	2	108.0567	0.044	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8833	0.115	3	108.0567	0.044	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1610	0.000	1	108.0567	0.044	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6,6]HO)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9810	0.000	1	108.0567	0.044	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CC)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9255	0.064	2	107.9255	0.004	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4490	0.000	1	109.4490	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]CO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4840	0.049	2	107.4840	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]C[6a]O)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6190	0.000	1	107.6190	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0265	0.590	11	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0235	0.050	2	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8000	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4980	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9280	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4710	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9485	0.213	2	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4430	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7290	0.060	5	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7970	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1225	0.070	2	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0643	0.633	8	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0355	0.170	2	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8527	0.109	3	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9330	0.000	1	107.9795	0.234	42	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9820	0.000	1	108.1747	0.013	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1903	0.107	16	108.1747	0.013	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HO)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1180	0.000	1	108.1747	0.013	18	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]O[6]H)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4940	0.000	1	107.4940	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6729	0.260	10	107.6085	0.038	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|Cl<1>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2740	0.000	1	107.6085	0.038	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5510	0.134	2	107.6085	0.038	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5559	0.075	13	107.6085	0.038	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]C[6]H)(H)2{2|C<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8530	0.044	2	107.6085	0.038	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5]O[6]O)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8260	0.000	1	107.8260	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a,6]CC)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1500	0.000	1	108.1500	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5a]O[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7850	0.000	1	107.7850	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8233	0.030	3	107.5945	0.065	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3657	0.061	3	107.5945	0.065	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6455	0.087	2	107.6455	0.008	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0610	0.082	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8490	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0430	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9980	0.092	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0030	0.066	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9630	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.0590	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2790	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7010	0.187	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2577	0.114	3	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1034	0.149	11	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1716	0.084	9	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7480	0.058	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.6490	4.376	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1628	1.661	54	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1496	0.102	9	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0413	0.808	39	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cl<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9813	0.341	3	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	113.2450	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1570	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1350	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9970	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7650	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9557	2.066	4	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7735	0.067	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.9930	0.127	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6380	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0157	0.096	3	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9300	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0800	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9445	0.203	6	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8005	0.397	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8430	0.242	4	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0140	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1718	0.339	16	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1350	0.068	4	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1544	0.085	20	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0944	0.226	7	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0080	0.001	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6340	0.389	3	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2560	0.000	1	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9606	0.267	7	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8876	1.092	85	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.2215	3.324	2	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1048	0.516	79	108.0586	1.062	404	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3520	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3630	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5290	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0325	0.107	2	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5920	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0854	0.133	5	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0550	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4550	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4470	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1183	0.127	3	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{2|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0657	0.151	3	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9540	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2009	2.960	83	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HO)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9900	0.000	1	108.1472	6.937	105	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2280	0.030	2	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9114	0.273	13	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2382	0.039	4	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1450	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2190	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8390	0.074	2	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3110	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3670	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0450	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1210	0.108	4	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1970	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.9550	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1380	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3020	0.000	2	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2300	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0810	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2070	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.1820	0.709	5	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1848	0.702	30	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.6250	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7650	0.525	2	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1755	0.180	21	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3240	0.000	1	108.1687	0.437	98	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(H)2{1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3560	0.000	1	107.3560	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3165	1.606	2	107.6824	0.791	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0735	0.094	2	107.6824	0.791	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2H)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6320	0.000	1	107.6824	0.791	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2O)(H)2{5|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3650	0.270	2	107.3650	0.073	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2590	0.000	1	108.1977	0.055	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3960	0.000	1	108.1977	0.055	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.000	1	108.1977	0.055	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1640	0.000	1	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.7480	0.000	1	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5710	0.000	1	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0080	0.044	3	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5725	0.094	2	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2020	0.000	1	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.3840	0.000	1	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6045	0.111	2	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6400	0.000	1	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,3|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3545	0.021	2	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4195	0.105	2	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2767	0.424	3	107.4233	0.515	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2285	1.025	4	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4998	0.106	5	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5010	7.562	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7980	0.935	3	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1905	0.049	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9490	0.068	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2720	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6710	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8573	0.107	15	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9818	0.087	5	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7717	0.043	4	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8507	0.036	3	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8910	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7440	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4345	0.052	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.7600	2.423	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9873	0.073	3	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0460	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6643	0.074	3	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8745	0.165	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7218	0.351	5	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6590	0.066	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8780	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7770	0.000	1	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6605	0.092	13	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8617	0.135	3	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7435	0.117	2	107.8808	1.201	90	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6210	0.000	1	107.7461	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9710	0.000	1	107.7461	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8820	0.000	1	107.7461	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2300	0.139	2	107.7461	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9570	0.126	2	107.7461	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7877	0.065	9	107.7461	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2780	0.000	1	108.2570	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2360	0.000	1	108.2570	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4830	0.000	1	109.4830	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9660	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.9460	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.8330	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7880	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1530	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8765	0.152	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0340	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2440	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6260	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6520	0.087	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9535	0.129	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6234	0.080	29	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6775	1.019	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9880	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9594	1.115	8	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5490	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1440	0.117	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0480	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8180	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8020	0.037	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7925	0.046	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1480	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8890	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9667	0.048	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0650	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1035	0.084	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9946	0.313	7	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0770	1.597	10	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1637	0.097	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8107	0.344	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0040	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.5590	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.4045	3.436	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8790	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1665	0.171	6	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7515	0.037	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6410	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7120	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8448	0.282	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8780	0.092	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6218	1.099	5	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6870	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7793	1.082	13	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3110	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8630	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9460	0.006	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2095	0.091	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2710	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8617	0.096	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7617	1.579	20	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5754	2.243	7	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3225	0.026	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8960	0.125	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6149	1.048	13	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9400	0.030	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0300	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2870	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0335	0.028	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7405	0.212	20	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4253	0.831	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1247	0.327	10	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0210	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0077	1.548	10	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9240	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9950	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8130	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7700	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8705	0.025	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0670	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0550	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8800	0.194	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<1>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2710	0.042	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0180	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8748	0.944	5	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8510	0.081	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9222	0.199	5	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0095	0.047	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0047	0.179	6	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9880	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7160	0.098	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8870	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0773	0.915	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4010	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0046	0.169	16	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.2260	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1187	0.115	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9970	0.035	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0173	0.141	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5395	0.291	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0672	0.161	12	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3660	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<5>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8165	0.117	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<6>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4030	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ir<7>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8910	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6340	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.3025	1.347	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9505	1.384	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8260	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	102.6880	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0509	0.135	15	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1672	0.520	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6690	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3370	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1064	0.233	11	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8870	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1690	0.023	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9387	0.141	8	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7455	0.943	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7570	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9080	0.001	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0780	0.195	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,2|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5490	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0626	0.874	5	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2900	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0750	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9480	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0785	0.002	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0910	0.141	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9284	0.152	5	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9775	0.145	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1320	0.090	14	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0350	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9760	0.088	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|B<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8210	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8920	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1078	0.079	5	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5397	2.345	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9638	0.220	9	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7371	1.200	18	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1223	0.155	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0803	0.088	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1357	0.203	6	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9933	0.123	4	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5620	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7323	0.169	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0230	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.7650	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8000	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9843	0.887	20	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0680	0.000	1	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7085	0.330	2	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3657	1.978	18	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1820	0.090	3	107.9220	0.880	536	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0960	0.123	2	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1275	1.525	2	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7090	0.000	1	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.1220	0.000	1	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5662	0.239	8	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0595	0.011	2	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9638	0.364	4	107.6391	0.379	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3110	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9688	0.138	4	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9640	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4130	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5850	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8760	0.074	2	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1860	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9300	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3890	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9355	0.132	10	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0065	0.183	2	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6080	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8520	0.106	2	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2820	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1150	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4410	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2320	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8880	0.141	2	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.2910	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9570	0.222	6	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	111.6000	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0030	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8860	0.236	2	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0580	0.000	1	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3729	1.588	155	108.2872	2.099	202	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0547	0.059	3	108.0547	0.003	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]NN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8670	0.000	1	107.8670	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N[5]H)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7980	0.008	2	107.7980	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RhH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RhH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4725	0.016	2	109.4725	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6210	0.162	7	108.6544	0.013	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6605	0.049	4	108.6544	0.013	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]RuH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6806	0.084	8	108.6544	0.013	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SS)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3410	0.000	1	107.3410	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9720	0.000	1	107.8995	0.011	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8270	0.000	1	107.8995	0.011	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6140	0.000	1	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9545	0.180	2	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8870	0.000	1	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7930	0.000	1	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,1|S<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6960	0.000	1	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9870	0.273	2	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.3090	0.000	1	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9400	0.000	1	108.3122	0.746	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]Rh)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.6092	3.815	7	103.6092	14.556	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5060	0.000	1	106.4093	7.480	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1420	0.000	1	106.4093	7.480	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6620	0.000	1	106.4093	7.480	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	102.3270	0.000	1	106.4093	7.480	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1280	0.000	1	107.8450	0.160	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5620	0.000	1	107.8450	0.160	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5830	1.413	2	107.5670	0.999	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]CH)(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5350	0.000	1	107.5670	0.999	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	110.3910	0.000	1	110.3910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[5a,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0227	0.040	3	108.0227	0.002	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9900	0.000	1	107.8882	0.025	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9280	0.171	2	107.8882	0.025	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7070	0.000	1	107.8882	0.025	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7420	0.280	3	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8490	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4880	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1080	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3450	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3790	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6870	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7080	0.000	1	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5603	0.615	3	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0180	0.185	2	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9293	0.016	3	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.4445	2.577	2	108.1092	0.896	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HO)(H)2{1|C<2>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7800	0.000	1	107.7800	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0050	0.000	1	108.0050	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1480	0.000	1	107.1576	3.144	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.000	1	107.1576	3.144	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6410	0.000	1	107.1576	3.144	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.1065	2.959	2	107.1576	3.144	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9620	0.000	1	107.9620	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9480	0.000	1	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.031	2	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3400	0.000	1	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6673	0.769	6	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9840	0.000	1	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2210	0.000	1	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1792	0.078	4	108.3181	0.289	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]P[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6140	0.000	1	107.6140	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]P[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Ir)(C[6]P[6]CC)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4640	0.000	1	107.4640	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0840	0.000	1	108.0840	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9250	0.000	1	107.7763	0.026	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7020	0.134	2	107.7763	0.026	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HN)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8295	0.005	2	107.8295	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2040	0.000	1	108.2040	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]N[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7695	0.053	2	107.7695	0.003	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0090	0.000	1	108.0090	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[3,6]HN)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1900	0.000	1	108.1900	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[4x6]HH)(H)2{1|C<3>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9760	0.000	1	107.9760	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6880	0.000	1	107.6880	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5]C[6]O)(H)2{1|O<2>,2|H<1>,8|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5690	0.000	1	107.5690	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[5a,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9533	0.078	3	107.9533	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2120	0.000	2	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8960	0.000	1	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3700	0.000	1	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9230	0.000	1	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.4650	0.000	1	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1070	0.000	1	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6395	0.559	2	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0747	0.745	6	107.7275	1.649	15	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6a]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9990	0.000	1	107.9990	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9592	0.340	4	107.9782	0.088	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]BrH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0540	0.000	1	107.9782	0.088	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0450	0.000	1	107.0450	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9595	0.070	4	107.7023	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6179	0.226	9	107.7023	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6127	0.104	3	107.7023	0.053	16	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CO)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8200	0.000	1	107.8200	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]ClH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0310	1.368	3	107.0310	1.873	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5905	0.104	2	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8340	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1420	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6180	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6590	0.035	2	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7890	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8530	0.086	2	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0450	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7490	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9850	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7050	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0570	0.415	3	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8020	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0920	0.107	2	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7550	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5870	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1535	5.389	2	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8340	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9780	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9197	0.049	4	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8860	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|S<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9585	0.112	2	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0617	0.755	3	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8175	0.071	4	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8890	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8623	0.108	9	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7680	0.000	1	107.8244	0.647	52	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HI)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1280	0.061	3	108.1280	0.004	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8120	0.000	1	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8960	0.000	1	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4340	0.000	1	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|Cl<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7395	0.350	2	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9543	0.110	6	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.006	2	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4578	0.646	15	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HO)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0547	0.878	4	107.6948	0.332	32	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1830	0.000	1	108.1830	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.2880	0.000	1	105.2880	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8020	0.000	1	107.8020	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6,6]HH)(H)2{2|H<1>,7|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5320	0.045	2	107.5320	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6800	0.000	1	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8220	0.000	1	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8605	0.040	2	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4100	0.000	1	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6720	0.099	2	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9520	0.000	1	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8135	0.076	2	107.7556	0.025	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8580	0.000	1	107.8177	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7975	0.094	2	107.8177	0.006	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8255	0.107	2	107.8255	0.011	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]S[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9043	0.078	4	107.9043	0.006	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6]Si)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8733	0.204	3	107.8733	0.041	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5720	0.000	1	107.5720	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2250	0.000	1	108.2250	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.8070	0.000	1	106.0730	10.270	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[5,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3390	0.000	1	106.0730	10.270	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7400	0.000	1	107.7400	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9120	0.023	2	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4095	2.675	4	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.9000	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9325	1.138	4	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Cu<5>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5180	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9785	0.025	2	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Hg<4>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7030	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Li<4>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0201	0.113	9	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Ni<4>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9860	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3961	3.114	22	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Pd<5>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	102.4940	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Rh<6>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4670	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|Zn<4>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9130	0.105	4	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3815	0.795	2	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3060	1.362	7	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9670	0.000	1	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9294	0.119	11	107.4711	4.519	74	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7080	1.263	2	108.7080	1.595	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8785	0.032	2	107.8946	0.017	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1090	0.000	1	107.8946	0.017	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8035	0.056	2	107.8946	0.017	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]C)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9210	0.096	2	107.9210	0.009	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[3,6,6]HH)(H)2{1|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9170	0.000	1	107.9170	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9505	1.196	2	108.9505	1.430	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0340	0.000	1	108.0340	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8320	0.000	1	108.2442	0.668	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6230	1.195	2	108.2442	0.668	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]CH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8990	0.000	1	108.2442	0.668	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]ClH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9803	0.280	3	107.9803	0.079	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1510	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3810	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0700	0.034	4	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1270	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3376	1.623	5	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1310	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8753	0.274	6	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1420	1.022	2	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2600	0.932	2	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8480	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6505	0.081	11	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Cu<4>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7730	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8883	0.188	3	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5503	1.951	4	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1530	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6188	1.319	6	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8890	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6630	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1560	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6150	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7813	0.023	3	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9760	0.247	3	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9360	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8930	0.000	1	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0223	0.264	3	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9947	0.097	4	107.7079	0.634	70	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HO)(H)2{1|H<1>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4810	0.000	1	108.4810	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0580	0.000	1	108.0580	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8400	0.000	1	108.3083	0.788	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7950	1.189	2	108.3083	0.788	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8030	0.000	1	108.3083	0.788	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9200	0.027	2	107.9200	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8460	0.000	1	107.8460	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6510	0.000	1	107.6510	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0200	0.000	1	108.0800	0.007	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]2)(C[6]C[6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1400	0.000	1	108.0800	0.007	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9590	0.000	1	107.8470	0.025	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.8470	0.025	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6842	0.651	5	107.4345	3.323	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7233	0.173	8	107.4345	3.323	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	100.1480	0.000	1	107.4345	3.323	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1802	0.515	5	107.4345	3.323	19	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6,6]HO)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0025	0.110	2	108.0025	0.012	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6020	0.000	1	107.6020	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9532	0.091	4	107.9070	0.017	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7220	0.000	1	107.9070	0.017	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0135	0.009	2	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4480	0.000	1	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.034	2	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9790	0.000	1	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8067	0.149	4	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8105	0.005	2	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7555	0.149	2	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|Cl<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9415	0.052	2	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1870	0.000	2	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0170	0.000	1	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9292	0.056	4	107.9865	0.120	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]O[6]HO)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5390	0.000	1	107.5390	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5a,6]HH)(H)2{4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6540	0.000	1	107.6540	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9020	0.000	1	107.9020	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8420	0.000	1	107.9653	0.175	24	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8418	0.124	4	107.9653	0.175	24	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2520	0.129	2	107.9653	0.175	24	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0477	0.041	3	107.9653	0.175	24	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2975	0.064	2	107.9653	0.175	24	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6]HH)(H)2{6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8929	0.557	12	107.9653	0.175	24	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]C[6a]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3570	0.000	1	108.3570	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6,6a]HH)(H)2{4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8340	0.000	1	107.8340	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3080	0.000	1	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8270	0.000	2	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.8090	0.000	1	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4640	0.000	1	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.8610	0.000	1	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1170	0.000	2	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7680	0.000	1	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9822	0.175	11	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.1245	8.084	3	107.2294	9.084	23	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1803	0.018	4	108.1803	0.000	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]FH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1380	0.000	1	108.1380	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1283	0.298	4	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.9360	0.000	1	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0090	0.000	1	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.5560	0.000	1	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0520	0.000	1	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9710	0.081	4	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4555	0.023	2	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6220	0.000	1	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0570	0.304	2	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8552	0.891	4	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2740	1.253	3	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2832	0.094	6	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.9180	0.000	2	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8120	1.261	4	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6360	0.984	2	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1930	0.000	1	108.2330	0.782	39	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	117.4960	0.000	1	109.5469	10.347	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4685	0.179	2	109.5469	10.347	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3930	0.000	1	109.5469	10.347	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2150	0.103	2	109.5469	10.347	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HO)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.5595	0.211	2	109.5469	10.347	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]HS)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0640	0.139	6	108.0640	0.019	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9140	0.000	1	107.9140	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0900	0.000	1	108.0900	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.2760	0.000	1	108.2860	0.735	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7910	0.024	2	108.2860	0.735	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2220	0.000	1	108.1110	0.022	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1620	0.047	2	108.1110	0.022	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]O[6]HH)(H)2{4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8980	0.000	1	108.1110	0.022	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0420	0.000	1	108.0420	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,5,6]HH)(H)2{1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8560	0.000	1	107.8560	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6930	0.000	1	107.6930	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0440	0.000	1	108.0440	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8160	0.000	1	107.8160	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2640	0.096	2	107.3960	0.057	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6600	0.000	1	107.3960	0.057	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7767	0.028	3	108.1866	0.854	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8900	0.100	2	108.1866	0.854	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2330	0.000	1	108.1866	0.854	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8260	1.690	4	108.1866	0.854	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0035	0.217	2	108.1866	0.854	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9795	0.004	2	108.1866	0.854	14	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1130	0.000	1	108.1130	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]P[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5240	0.000	1	107.5240	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.5910	0.000	1	104.5910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]2)(C[6]O[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8640	0.000	1	107.8640	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[3,6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1390	0.000	1	107.1390	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8770	0.000	1	107.8770	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1740	0.000	1	107.7160	0.337	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3780	0.724	2	107.7160	0.337	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9340	0.000	1	107.7160	0.337	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2010	0.000	1	108.2010	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[3x6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|O<2>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9525	0.032	2	107.9525	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2490	0.000	2	106.8100	0.257	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3710	0.000	2	106.8100	0.257	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6,6]HH)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4870	0.008	2	107.4870	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9500	0.000	1	107.8330	0.027	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HH)(H)2{5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7160	0.000	1	107.8330	0.027	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.000	1	107.9000	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6325	0.107	2	107.4467	0.977	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6540	0.000	1	107.4467	0.977	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2570	1.297	7	107.4467	0.977	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8210	0.000	2	107.4467	0.977	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7800	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7810	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5403	0.204	4	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7160	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6960	0.200	3	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9607	0.103	3	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8250	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7360	0.044	2	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9303	0.067	6	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1630	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7810	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8072	0.122	55	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8517	1.661	6	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3310	0.000	1	107.7242	0.243	87	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.040	2	107.7610	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7350	0.000	1	107.7350	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0640	0.038	2	108.0640	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8620	0.000	1	106.8620	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8520	0.000	1	107.5318	3.994	106	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>,2|S<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0400	0.000	1	107.5318	3.994	106	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3772	2.362	74	107.5318	3.994	106	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8858	0.465	29	107.5318	3.994	106	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8780	0.000	1	107.5318	3.994	106	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0210	0.000	1	107.9678	0.006	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9545	0.084	4	107.9678	0.006	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0010	0.113	2	107.9427	0.017	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8260	0.000	1	107.9427	0.017	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4580	0.000	1	108.6260	1.384	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7940	0.000	1	108.6260	1.384	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0630	0.000	1	108.5751	0.503	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0980	0.054	3	108.5751	0.503	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9520	0.000	1	108.5751	0.503	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0884	0.684	5	108.5751	0.503	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.2390	0.000	1	103.2390	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]OO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0930	0.000	1	108.0930	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[5,6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2740	0.000	1	108.2740	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.000	1	108.2145	0.153	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.4910	0.000	1	108.2145	0.153	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1095	0.320	2	108.1095	0.103	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]O[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0660	0.199	5	108.0660	0.039	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]S[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7720	0.000	1	107.7720	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]N)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8060	0.000	1	107.8060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7400	0.000	1	107.7400	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.1340	0.000	1	109.1340	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7240	0.151	3	107.7240	0.023	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9175	0.023	2	107.9175	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6430	0.000	1	107.6430	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6485	0.006	2	107.7337	0.022	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9040	0.000	1	107.7337	0.022	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	107.7300	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8010	0.000	1	107.8010	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8590	0.085	2	107.9010	0.009	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9850	0.000	1	107.9010	0.009	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]O[6]HO)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8570	0.000	1	107.8570	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7913	0.310	3	107.7913	0.096	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.1710	0.000	1	105.1710	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6800	0.000	1	107.6800	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]CC)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4003	0.047	3	107.4003	0.002	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9590	0.000	1	108.9590	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8670	0.000	1	108.0600	0.130	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7960	0.000	1	108.0600	0.130	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8740	0.000	1	108.0600	0.130	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6750	0.000	1	108.0600	0.130	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0880	0.000	1	108.0600	0.130	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]C[6]S[6])(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.8060	0.000	1	106.8060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[5a,6]N[6])(C[6]S[6]HH)(H)2{1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8730	0.000	1	107.8730	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(H)2{3|C<4>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0740	0.000	1	109.0740	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8240	0.006	2	107.9607	0.056	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2340	0.000	1	107.9607	0.056	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|S<3>,2|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.2400	0.000	1	104.2400	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8430	0.000	1	107.8430	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]O[6]2)(C[6]C[6,6a]C[6a]H)(H)2{7|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9005	0.091	2	107.9005	0.008	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6,6a]S[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0300	0.000	1	108.0300	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7750	0.000	1	107.7750	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6,6a]CH)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	99.7659	0.000	1	99.7659	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.2280	0.000	1	108.2940	1.745	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3600	0.000	1	108.2940	1.745	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8750	0.043	3	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7860	0.199	2	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7295	0.107	4	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8363	0.030	3	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6645	1.414	2	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8245	2.385	2	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8010	0.000	1	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,1|S<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5292	0.150	4	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.4355	5.658	2	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.6000	1.061	2	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HH)(H)2{4|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7410	0.065	3	108.0648	3.111	28	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]C[6]HN)(H)2{1|O<1>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7670	0.000	1	107.7670	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2N[6])(C[6]O[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9480	0.053	4	107.9480	0.003	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[3,6,6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7660	0.000	1	108.7660	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[3x6]CC)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7560	0.000	1	108.7560	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[5a,6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9160	0.000	1	107.9160	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<2>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0930	0.000	1	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0900	0.000	1	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0750	0.000	1	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8345	0.168	2	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0370	0.000	1	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]HH)(H)2{2|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0940	0.000	1	108.0985	0.185	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9400	0.000	1	107.9483	0.000	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9620	0.000	1	107.9483	0.000	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9430	0.000	1	107.9483	0.000	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2745	0.252	2	107.2745	0.064	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]CH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6220	0.000	1	107.6220	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9065	0.074	2	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9040	0.039	3	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0400	0.000	1	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8703	0.098	3	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6723	0.090	3	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7542	0.075	4	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9670	0.000	1	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7050	0.000	1	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8307	0.094	6	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7310	0.000	1	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9170	0.000	1	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1465	0.095	2	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8190	0.011	2	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8245	0.022	2	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HH)(H)2{4|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7300	0.000	1	107.8432	0.017	33	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8460	0.000	1	107.8460	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2450	0.000	1	107.6285	0.294	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6a]O[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0120	0.000	1	107.6285	0.294	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7740	0.000	1	107.7740	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9650	0.000	1	107.5010	0.431	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0370	0.000	1	107.5010	0.431	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7747	0.130	4	107.7657	0.012	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2P[6])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7537	0.105	3	107.7657	0.012	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[5a,6]CH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6315	0.032	2	107.6315	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4354	0.932	14	107.5370	0.621	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7738	0.075	6	107.5370	0.621	20	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3662	0.401	4	107.5414	0.132	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]2S[6])(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7750	0.107	3	107.5414	0.132	7	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7710	0.023	2	107.7710	0.001	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0530	0.000	1	107.0252	2.015	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5375	0.501	2	107.0252	2.015	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.9730	0.000	1	107.0252	2.015	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5585	0.013	2	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7170	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8240	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7780	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7873	0.122	4	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7270	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6300	0.047	4	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6180	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4030	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8800	0.072	3	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,8|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0992	0.886	4	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0230	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8255	0.032	2	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9765	0.043	2	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8628	0.179	6	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.8760	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.8680	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,8|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7545	0.141	2	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0065	0.754	2	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.1860	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.6100	0.000	1	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7480	0.081	4	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8420	0.088	2	107.6757	0.670	48	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,6|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6320	0.266	4	107.6320	0.071	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1940	0.000	1	107.1940	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7535	0.006	2	107.7025	0.004	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]N[6]HH)(H)2{1|N<3>,1|S<4>,2|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6515	0.019	2	107.7025	0.004	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]O[6]HH)(H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1520	0.000	1	108.1520	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9855	0.086	2	107.8442	0.010	17	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8139	0.089	12	107.8442	0.010	17	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9660	0.000	1	107.8442	0.010	17	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8240	0.010	2	107.8442	0.010	17	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]2)(C[6]S[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6780	0.139	2	107.6780	0.019	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]CH)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5800	0.000	1	107.5800	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9525	0.142	2	108.5831	0.861	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.0822	0.781	5	108.5831	0.861	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]N[6]O[6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3490	0.000	1	108.5831	0.861	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6210	0.021	2	107.6210	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2325	0.025	2	107.4679	2.570	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	103.2370	0.000	1	107.4679	2.570	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7120	0.250	2	107.4679	2.570	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0237	0.209	3	107.4679	2.570	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6]HH)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0140	0.000	1	107.4679	2.570	9	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6197	0.509	12	107.6197	0.259	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9775	0.013	2	107.9775	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5125	0.193	2	107.5125	0.037	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7400	0.230	3	108.1740	0.789	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]CH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.4760	0.000	1	108.1740	0.789	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Br<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.2260	0.000	1	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0320	0.113	3	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.0233	1.526	4	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8500	0.423	2	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9380	0.106	2	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0670	0.000	1	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0231	0.080	24	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|Fe<7>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0440	0.098	2	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9120	0.000	1	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9393	0.049	4	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8808	0.076	9	107.8546	0.347	53	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9060	0.000	1	107.9060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]O[6]2)(C[6]N[6]CC)(H)2{1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2975	0.084	4	107.2975	0.007	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.1910	0.000	1	107.1910	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[5]C[6]H)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8060	0.000	1	107.8060	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]CH)(H)2{1|O<1>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7330	0.007	2	107.7330	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1680	0.000	1	107.9120	0.022	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8830	0.000	1	107.9120	0.022	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8363	0.053	3	107.9120	0.022	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{2|H<1>,3|C<4>,5|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3950	0.148	2	107.4477	0.022	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]N[6]CC)(H)2{3|C<4>,3|H<1>,4|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5005	0.183	2	107.4477	0.022	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]C[6]S[6]2)(C[6]O[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9835	0.183	2	107.9835	0.034	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4930	0.000	1	107.6150	0.030	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7370	0.000	1	107.6150	0.030	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]CO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5295	0.156	2	107.5295	0.024	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1440	0.000	1	107.9766	0.017	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9820	0.000	1	107.9766	0.017	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0203	0.054	6	107.9766	0.017	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7590	0.062	2	107.9766	0.017	10	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3205	0.076	2	108.3205	0.006	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0320	0.000	1	108.0320	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[3x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9280	0.069	3	107.9280	0.005	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7220	0.000	1	107.7220	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6480	0.000	1	107.6480	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6,6]C[6]O)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6340	0.000	1	107.6340	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9000	0.000	1	108.0145	0.026	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1290	0.000	1	108.0145	0.026	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0330	0.000	1	108.1060	0.011	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[5a,6]C[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1790	0.000	1	108.1060	0.011	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0970	0.078	3	108.0365	0.007	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9650	0.000	1	108.0365	0.007	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0090	0.073	4	108.0365	0.007	8	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]2H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.3310	0.000	1	108.3310	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6875	0.148	2	107.6875	0.022	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{1|S<2>,2|H<1>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6920	0.000	1	107.9827	1.038	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[5,6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0797	1.225	3	107.9827	1.038	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.9790	0.000	1	108.2207	0.431	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8400	0.000	1	108.2207	0.431	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8430	0.000	1	108.2207	0.431	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]CO)(H)2{1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7610	0.267	2	107.7610	0.071	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2110	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.1320	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9680	0.093	16	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8090	0.023	2	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9950	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1530	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0140	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7855	0.037	2	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9958	0.199	6	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0850	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7450	0.000	2	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.5520	0.450	2	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8732	0.051	4	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8000	0.036	3	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6740	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0900	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7070	0.345	2	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7770	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8023	0.642	16	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2070	0.614	3	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8270	0.000	1	107.9554	0.236	68	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9042	0.174	12	107.8916	0.030	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HN)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7400	0.000	1	107.8916	0.030	13	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7940	0.020	2	108.1902	0.731	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6340	0.000	1	108.1902	0.731	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]HO)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.8645	1.179	2	108.1902	0.731	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6110	0.093	2	107.7793	0.089	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1160	0.000	1	107.7793	0.089	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9920	0.000	1	107.9485	0.004	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9050	0.000	1	107.9485	0.004	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8050	0.000	1	107.8050	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5075	0.011	2	107.5075	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.6830	0.000	1	106.6830	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2860	0.000	1	107.2860	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8210	0.107	3	107.8210	0.011	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[5a,6]C[6a]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7930	0.013	2	107.7930	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3990	0.047	2	107.3990	0.002	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6870	0.000	1	107.6895	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6920	0.000	1	107.6895	0.000	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]C[6]Si)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	109.6545	3.556	2	109.6545	12.645	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[5,6]C[6a]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8240	0.000	1	107.8240	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8660	0.000	1	108.0077	0.031	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9510	0.000	1	108.0077	0.031	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.2060	0.000	1	108.0077	0.031	3	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]C)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8510	0.000	1	107.8510	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0607	0.163	4	107.4002	2.495	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	104.1870	0.000	1	107.4002	2.495	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9710	0.000	1	107.4002	2.495	6	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]N[6,6]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8280	0.000	1	107.8280	0.000	1	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6690	0.000	1	107.7835	0.026	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]CC)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8980	0.000	1	107.7835	0.026	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4253	0.013	3	107.5876	0.209	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.9320	0.000	1	107.5876	0.209	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.2800	0.000	1	107.5876	0.209	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7947	0.124	7	107.5876	0.209	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.5795	0.060	4	107.5795	0.004	4	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]RuH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]H)(C[6]C[6]RuH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.7365	0.086	2	108.7365	0.007	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6930	0.000	1	107.6200	0.003	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]C[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6017	0.035	4	107.6200	0.003	5	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]O[6,6]S[6]H)(C[6]S[6]CC)(H)2{2|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	106.3245	0.446	2	106.3245	0.199	2	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3703	0.139	10	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3693	0.086	6	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3177	0.086	3	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3834	0.074	12	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2784	0.121	14	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2675	0.059	2	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3494	0.082	13	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3240	0.107	3	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3569	0.264	8	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3762	0.131	4	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<9>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3329	0.144	7	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Se<1>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3690	0.000	1	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3295	0.045	2	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3957	0.169	3	107.3446	0.016	88	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2840	0.065	5	107.2903	0.005	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|I<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2750	0.007	2	107.2903	0.005	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.2915	0.029	2	107.2903	0.005	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]Se[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3100	0.140	3	107.2903	0.005	12	107.8383	1.101	7681	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[3x6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.7500	0.000	1	107.7500	0.000	1	107.7674	0.033	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]C)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.4810	0.000	1	107.4810	0.000	1	107.7674	0.033	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.7610	0.000	1	107.7610	0.000	1	107.7674	0.033	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9225	0.047	2	107.9225	0.002	2	107.7674	0.033	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]C)(N[6]C[5,6,6]CH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.1980	0.000	1	108.1980	0.000	1	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0110	0.000	1	108.0220	0.000	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(N[6]C[6]CH)(H)2{1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0330	0.000	1	108.0220	0.000	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]2H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	110.6290	3.861	2	110.6290	14.906	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	109.9480	0.000	1	109.9480	0.000	1	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0460	0.154	2	107.9796	0.012	12	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0340	0.086	2	107.9796	0.012	12	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]CuC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9494	0.105	8	107.9796	0.012	12	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]FeC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]FeC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8840	0.153	2	107.8840	0.023	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]MnC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]MnC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8165	0.025	2	107.8165	0.001	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]NiC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]NiC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9100	0.050	6	107.9100	0.002	6	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]ZnC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]ZnC)(H)2{1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0100	0.139	2	108.0100	0.019	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.3255	0.013	2	107.3670	0.005	3	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CC)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.4500	0.000	1	107.3670	0.005	3	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7670	0.102	2	107.8177	0.013	3	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.9190	0.000	1	107.8177	0.013	3	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CuC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]CuC)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.7625	0.097	2	107.7625	0.009	2	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.8450	0.000	1	107.9978	0.222	19	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0063	0.484	18	107.9978	0.222	19	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]PtH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]PtH)(H)2{1|C<4>,1|N<4>,6|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.0014	0.065	13	108.0014	0.004	13	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CoC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CoC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6659	0.157	10	107.6659	0.025	10	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CuC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]CuC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.6345	0.089	6	107.6345	0.008	6	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]ZnC)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(N[6]C[6]ZnC)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	107.5880	0.215	3	107.5880	0.046	3	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6]N[6]H)	H(C[6]C[6,6]N[6]H)	108.4935	1.974	15	108.4935	3.896	15	108.0363	0.964	104	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2	H(C[6]C[6,6]P[6]H)	H(C[6]C[6,6]P[6]H)	C[6](C[6,6]C[6,6]C[6]H)(P[6]C[6]IrC)(H)2{2|H<1>,5|C<4>}	H(C[6]C[6,6]P[6]H)	H(C[6]C[6,6]P[6]H)	108.5120	0.154	4	108.5120	0.024	4	108.5120	0.024	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.3435	0.062	2	107.2512	0.014	5	107.3650	0.089	6	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|C<4>,2|N<3>,5|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.2380	0.000	1	107.2512	0.014	5	107.3650	0.089	6	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.1655	0.148	2	107.2512	0.014	5	107.3650	0.089	6	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](C[6,6]N[6,6]C[6]H)(S[6]C[6]OO)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.9340	0.000	1	107.9340	0.000	1	107.3650	0.089	6	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2	H(C[6]C[6,6]Si[6]H)	H(C[6]C[6,6]Si[6]H)	C[6](C[6,6]C[3x6]C[5,6]H)(Si[6]C[4x6]CC)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]Si[6]H)	H(C[6]C[6,6]Si[6]H)	108.0670	0.000	1	108.0670	0.000	1	107.7830	0.161	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6,6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2	H(C[6]C[6,6]Si[6]H)	H(C[6]C[6,6]Si[6]H)	C[6](C[6,6]C[6,6]C[6]C)(Si[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6,6]Si[6]H)	H(C[6]C[6,6]Si[6]H)	107.4990	0.000	1	107.4990	0.000	1	107.7830	0.161	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{1|H<1>,4|C<3>,4|C<4>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	108.0005	0.105	2	107.8552	0.019	6	107.8549	0.016	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.7825	0.082	4	107.8552	0.019	6	107.8549	0.016	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]C[6]O[5]2)(H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[5,6]C[6]H)	H(C[6]C[5,6]C[6]H)	107.8540	0.126	2	107.8540	0.016	2	107.8549	0.016	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(H)2{1|N<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7180	0.000	1	107.7180	0.000	1	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2S[6])(H)2{1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4442	0.020	4	107.4442	0.000	4	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.3342	0.816	4	107.4692	0.445	6	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6,6]C[6]3)(H)2{2|O<2>,3|C<4>,6|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.7390	0.075	2	107.4692	0.445	6	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0512	0.122	4	108.0610	0.012	5	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]2)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.1000	0.000	1	108.0610	0.012	5	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8650	0.000	1	107.5538	0.438	9	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.8185	0.060	2	107.5538	0.438	9	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4925	0.094	2	107.5538	0.438	9	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6030	0.000	1	107.5538	0.438	9	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|H<1>,1|O<2>,2|O<1>,4|C<3>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	108.0095	0.111	2	107.5538	0.438	9	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	105.8750	0.000	1	107.5538	0.438	9	107.6240	0.294	25	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[3x3,3x5,12x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6610	0.000	1	107.6610	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[3x3,3x5,9x6]BH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4300	0.000	1	107.4300	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[4]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8345	0.063	2	107.8345	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[4x3,3x5,13x6]BH)(C[6]C[6]HH)(H)2{1|C<5>,1|H<2>,2|H<1>,3|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8170	0.000	1	107.8170	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[4x3,5,4x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,3|B<6>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0090	0.011	2	108.0090	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1780	0.000	1	108.1780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7560	0.000	1	107.7560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.8820	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9660	0.047	2	108.2702	0.924	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7860	0.000	1	108.2702	0.924	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1118	1.458	5	108.2702	0.924	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7558	0.067	4	108.2702	0.924	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9350	0.136	2	108.2702	0.924	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0765	0.066	2	108.2702	0.924	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5]C[6]H)(C[6]C[6]HO)(H)2{1|B<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1300	0.000	1	108.1300	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8617	0.014	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0125	0.077	2	107.8617	0.014	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8140	0.120	6	107.8617	0.014	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8610	0.094	4	107.8617	0.014	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HN)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.004	2	108.0980	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]HO)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1040	0.000	1	108.1040	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[5x3,5x5,21x6]N[6]H)(C[6]C[6]HH)(H)2{1|C<6>,2|C<3>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2160	0.000	1	108.2160	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0005	0.012	2	106.9767	3.145	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.9290	0.000	1	106.9767	3.145	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8330	0.000	1	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.7160	0.000	1	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4360	0.225	2	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4755	0.156	2	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2840	0.000	1	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,1|C<4>,2|H<1>,2|H<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8445	0.043	4	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]B[6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	107.4999	2.376	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,3,3x5,11x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|B<4>,1|B<6>,1|H<1>,2|B<5>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.000	1	108.1420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,3,4,3x5,14x6]HH)(C[6]C[6]HH)(H)2{1|B<6>,1|H<1>,2|B<4>,2|B<5>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1300	0.000	1	108.1300	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,3,4,5,10x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8410	0.000	1	107.8410	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4300	0.751	2	107.4300	0.564	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4806	1.068	7	108.4806	1.141	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,5]C[6]O)(C[6]C[3,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5890	0.000	1	107.5890	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[5,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4150	0.000	1	106.4150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2490	0.000	1	108.2490	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8360	0.000	1	107.5407	0.356	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2810	0.841	3	107.5407	0.356	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5385	0.439	2	107.5407	0.356	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	107.5407	0.356	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.000	1	107.8453	0.001	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HN)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8615	0.012	2	107.8453	0.001	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2330	0.000	1	107.9976	0.018	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9681	0.106	8	107.9976	0.018	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.4510	0.000	1	104.4510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5360	0.000	1	107.5360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4500	0.000	1	107.4500	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6730	0.000	1	107.5640	0.024	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4550	0.000	1	107.5640	0.024	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5160	0.000	1	107.5160	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7680	0.000	1	109.7680	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2670	0.000	1	108.2670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9550	0.000	1	108.1336	2.393	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.1390	0.000	1	108.1336	2.393	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6625	1.102	6	108.1336	2.393	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1600	0.000	1	108.1600	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8490	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{1|I<1>,2|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0755	0.043	2	108.0050	0.016	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8640	0.000	1	108.0050	0.016	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[4,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7640	0.025	2	107.7640	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5597	0.366	3	107.5597	0.134	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[5,6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6755	0.351	2	109.6755	0.124	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8240	0.000	1	109.8240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5380	0.000	1	108.5380	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]2H)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9275	0.019	2	107.9275	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	107.8254	0.008	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8096	0.086	7	107.8254	0.008	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|B<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7820	0.000	1	108.1313	0.477	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6390	0.000	1	108.1313	0.477	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	108.1313	0.477	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4890	0.000	1	108.1313	0.477	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1640	0.000	1	108.1313	0.477	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	108.1313	0.477	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4680	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2860	0.508	3	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1570	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3270	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7985	0.016	2	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6902	0.355	4	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6630	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1550	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9140	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1030	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0260	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|Nb<5>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0560	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9445	0.269	2	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9850	0.000	1	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1238	0.084	4	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9439	0.123	7	107.8839	0.315	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.2117	3.262	3	112.2117	10.640	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3360	0.000	1	108.3360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3525	1.819	2	108.7890	1.527	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2255	0.025	2	108.7890	1.527	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1800	0.000	1	108.1800	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.8820	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7860	0.000	1	107.7813	0.003	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7790	0.075	2	107.7813	0.003	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]CH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7450	0.000	1	107.7450	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.000	1	106.8393	18.703	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5980	0.020	2	106.8393	18.703	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	99.2594	0.000	1	106.8393	18.703	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8090	0.000	1	106.8393	18.703	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0760	0.000	1	108.0760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3,6]N[6,6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0045	0.053	2	108.0045	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7940	0.000	1	107.7940	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6830	0.000	1	107.6940	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7050	0.000	1	107.6940	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7765	6.232	2	107.7775	10.737	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3460	0.000	1	107.7775	10.737	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,2|O<2>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1245	0.015	2	107.7775	10.737	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[3,6]HH)(H)2{1|H<1>,7|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5170	0.000	1	107.7775	10.737	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8755	0.097	2	107.8755	0.009	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]H)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.000	1	108.0240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]C[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7560	0.000	1	107.7560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3140	0.000	1	108.3140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.000	1	108.0610	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3]O[6]O)(C[6]C[5,6]CO)(H)2{1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.000	1	107.7510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3a]C[6]H)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7950	0.000	1	107.7950	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,3x5,13x6]HH)(C[6]C[6]HH)(H)2{1|B<3>,1|H<1>,4|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	107.8750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,3x5,14x6]HH)(C[6]C[5,3x6]HH)(H)2{1|B<3>,1|B<5>,1|H<1>,3|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1090	0.000	1	108.1090	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3200	0.000	1	107.3330	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4]C[6])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|B<6>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3460	0.000	1	107.3330	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,4,3x5,14x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|B<6>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3500	0.244	3	107.3500	0.059	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,5,12x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|C<5>,2|B<6>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.277	2	107.7370	0.077	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x3,5,9x6]HH)(C[6]C[6]HH)(H)2{1|B<5>,1|B<6>,1|B<7>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1660	0.000	1	108.1660	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x4]C[5,6]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3440	0.000	1	109.3440	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x4]C[6]H)(C[6]C[6,6]HH)(H)2{2|H<1>,6|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7830	0.000	1	108.7830	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.020	2	107.8820	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7750	0.281	2	107.7750	0.079	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4180	0.577	3	107.8353	0.117	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6120	0.000	1	107.8353	0.117	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4560	0.000	1	107.8353	0.117	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5740	0.001	2	107.8353	0.117	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7962	0.124	11	107.8353	0.117	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7395	0.144	2	107.8353	0.117	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7910	0.000	1	107.7910	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.000	1	107.8010	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5570	0.006	2	107.7595	0.057	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9080	0.000	1	107.7595	0.057	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.000	1	107.7595	0.057	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9127	0.033	3	107.8965	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8480	0.000	1	107.8965	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7620	0.000	1	107.7620	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2960	0.000	1	108.0584	0.126	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9990	0.381	4	108.0584	0.126	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.000	1	107.9230	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[5,6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8730	0.000	1	107.8730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5890	0.000	1	107.5890	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.018	2	107.9507	0.013	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8720	0.201	2	107.9507	0.013	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0200	0.014	2	107.9507	0.013	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1650	0.000	1	107.8966	0.032	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8295	0.113	4	107.8966	0.032	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7880	0.000	1	107.8675	0.013	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9470	0.000	1	107.8675	0.013	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6813	0.057	3	107.6813	0.003	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5550	0.187	2	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2240	0.000	1	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0545	0.274	2	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9017	0.104	3	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0840	0.000	1	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0793	0.135	3	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8827	0.060	3	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.017	2	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0530	0.072	2	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0630	0.102	2	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0060	0.000	1	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9505	0.073	2	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7580	0.435	12	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4526	1.008	8	107.8211	0.258	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2422	0.045	4	108.2422	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0093	0.072	3	108.0093	0.005	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1650	0.000	1	108.1650	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0790	0.000	1	108.0790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9030	0.000	1	108.0125	0.024	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]CC)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1220	0.000	1	108.0125	0.024	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3655	0.022	2	108.5068	2.721	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0440	0.000	1	108.5068	2.721	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1110	0.000	1	108.5068	2.721	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1780	0.000	1	108.5068	2.721	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8743	2.627	4	108.5068	2.721	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HH)(C[6]O[6]HO)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.000	1	107.8620	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6,6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0320	0.000	1	108.0320	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8170	0.000	1	107.8170	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]HS)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5790	0.000	1	108.5790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0640	0.000	1	108.0640	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[3x6]N[6]H)(C[6]O[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4440	0.000	1	108.4440	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	114.8220	0.000	1	108.9370	69.266	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,3x5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.0520	0.000	1	108.9370	69.266	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8590	0.000	1	107.8590	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0107	0.071	3	108.0107	0.005	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	121.2065	11.948	2	121.2065	142.754	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.6540	0.000	1	110.6540	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6080	0.000	1	107.8815	0.150	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1550	0.000	1	107.8815	0.150	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8950	0.000	1	107.9160	0.164	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1110	0.000	1	107.9160	0.164	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1100	0.000	1	107.9160	0.164	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7320	0.717	2	107.9160	0.164	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4237	0.570	3	108.4237	0.325	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0430	0.077	3	108.2929	0.235	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4802	0.598	4	108.2929	0.235	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3540	0.000	1	108.3540	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5420	0.000	1	107.5420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8190	0.000	1	108.6470	1.371	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4750	0.000	1	108.6470	1.371	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0720	0.000	1	108.0720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]Cl2)(C[6]C[6]ClH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8760	0.000	1	107.8760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0150	0.000	1	107.7283	0.730	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2210	0.062	2	107.7283	0.730	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4560	0.000	1	107.7283	0.730	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6,6]HI)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7275	0.037	2	107.7275	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6440	0.062	2	107.6440	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8100	0.087	5	107.7860	0.010	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6660	0.000	1	107.7860	0.010	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7475	0.018	2	107.7475	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1200	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6970	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6920	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0490	0.232	2	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0275	0.101	2	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7020	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0370	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4832	1.876	4	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4580	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9310	0.000	1	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9684	3.569	12	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7708	3.255	12	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6140	0.948	3	107.9582	7.226	43	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8165	0.026	2	107.8165	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0730	0.000	1	108.0730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.9021	6.129	3	104.9021	37.560	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4,6]HO)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0790	3.794	5	109.0790	14.394	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6260	0.000	1	107.6260	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7150	0.000	1	107.7150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9540	0.058	7	107.7064	3.148	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7583	4.290	4	107.7064	3.148	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9145	0.073	2	107.7064	3.148	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.7064	3.148	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]H)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9502	0.107	6	107.7064	3.148	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]C[6]O)(C[6]C[6]HH)(H)2{1|S<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9185	0.073	2	107.9185	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4]O[6]C)(C[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2998	0.051	5	107.2998	0.003	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9060	0.000	1	107.9060	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0120	0.000	1	108.0345	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0570	0.000	1	108.0345	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[5,6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3792	0.290	4	107.3792	0.084	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.000	1	107.8460	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9593	0.133	7	107.9593	0.018	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1550	0.096	2	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9610	0.000	2	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1790	0.105	2	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0115	0.135	2	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2830	0.000	1	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1170	0.078	2	108.0550	0.028	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6057	1.496	3	108.4153	1.637	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8440	0.000	1	108.4153	1.637	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1195	1.302	2	109.1195	1.695	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[4x6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9301	0.143	13	107.9301	0.021	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[3x6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8980	0.000	1	107.8980	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9080	0.000	1	107.9080	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8150	0.000	1	107.8150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9950	0.000	1	107.6255	0.161	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8830	0.000	1	107.6255	0.161	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6877	0.358	6	107.6255	0.161	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.000	1	107.8349	0.020	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8165	0.101	2	107.8349	0.020	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8414	0.159	11	107.8349	0.020	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9050	0.230	5	107.9050	0.053	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,3x6]HO)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4060	0.000	1	108.4060	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,4x6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7285	0.020	4	107.7285	0.000	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,4x6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	107.9170	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HH)(C[6]C[5,6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	2	108.0510	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0420	0.073	5	108.0006	0.008	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,3x6]HO)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9317	0.081	3	108.0006	0.008	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.5440	0.000	1	110.5440	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5420	0.000	1	107.5420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6140	0.033	2	107.6140	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9580	0.000	1	107.9580	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7160	0.000	1	107.7160	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0445	0.070	2	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7900	0.000	1	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2030	0.000	1	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7300	0.000	1	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0290	1.703	2	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2170	0.000	1	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1810	0.000	1	107.6964	0.600	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4950	2.350	2	106.4950	5.524	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2450	0.000	1	107.4840	0.683	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8760	0.023	2	107.4840	0.683	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9390	0.000	1	107.4840	0.683	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6100	0.000	1	107.6100	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[5,6]HO)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0220	0.000	1	108.0220	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2870	0.000	1	108.2870	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6730	0.000	1	107.6730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9950	0.000	1	107.4490	0.596	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9030	0.000	1	107.4490	0.596	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6727	0.077	3	107.6727	0.006	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8100	0.000	1	107.8100	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7910	0.000	1	107.9817	0.498	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HH)(H)2{1|S<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5770	0.119	2	107.9817	0.498	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5295	0.238	4	107.5295	0.057	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0450	0.000	1	108.2255	0.065	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4060	0.000	1	108.2255	0.065	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3810	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7020	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8410	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9790	0.362	2	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1450	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5756	0.935	32	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.280	3	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0850	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9260	0.000	1	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0043	0.293	3	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0263	0.205	3	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7265	0.295	2	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9963	0.184	4	107.6576	0.774	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.000	1	109.5580	5.018	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.1420	0.000	1	109.5580	5.018	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0720	0.000	1	108.0720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0222	0.172	4	108.0222	0.030	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[3x6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6820	0.000	1	107.6820	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9625	0.059	2	107.9625	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6900	0.000	1	108.6257	0.850	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	108.6257	0.850	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4650	0.044	3	108.6257	0.850	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7940	0.000	1	108.6257	0.850	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8740	0.305	2	107.8740	0.093	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2860	0.000	1	106.2860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6800	0.000	1	107.8090	0.023	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0140	0.000	1	107.8090	0.023	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.089	2	107.8090	0.023	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7178	0.281	5	107.7178	0.079	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6750	0.000	1	107.6750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]CO)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4750	0.078	3	107.4750	0.006	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]ClH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7840	0.000	1	107.7840	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1255	0.088	2	108.1255	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]BrH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9270	0.000	1	107.9270	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6170	0.045	2	107.8214	0.209	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8895	0.520	6	107.8214	0.209	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8760	0.000	1	107.8760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8120	0.000	1	107.8120	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4190	0.000	1	107.8951	0.476	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8350	0.000	1	107.8951	0.476	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7957	0.044	3	107.8951	0.476	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6890	0.000	1	107.8951	0.476	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9300	0.000	1	107.8951	0.476	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9010	0.000	1	107.8951	0.476	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8350	0.000	1	107.6900	0.042	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5450	0.000	1	107.6900	0.042	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9970	0.068	2	107.8705	0.069	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7440	0.373	2	107.8705	0.069	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7390	0.000	1	107.7390	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6870	0.212	4	107.6870	0.045	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7210	0.024	2	107.2046	3.581	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1440	0.000	1	107.2046	3.581	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	101.8420	0.000	1	107.2046	3.581	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7300	0.090	4	107.2046	3.581	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6340	0.000	1	107.2046	3.581	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0640	0.000	1	107.2046	3.581	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0990	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7453	0.127	3	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2490	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5517	0.854	3	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4450	0.000	2	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0585	0.051	6	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1250	0.048	2	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2900	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9636	2.494	11	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1965	0.090	4	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.5890	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3720	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1705	3.003	2	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9900	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9520	0.058	2	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3330	0.074	4	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9640	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3370	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2640	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6673	1.163	7	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1430	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1167	0.189	13	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9110	0.271	3	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4280	0.000	1	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0063	0.208	3	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4333	1.346	7	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1295	2.602	4	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4128	0.016	4	107.9902	1.937	93	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9845	0.016	2	107.9847	0.000	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9850	0.000	1	107.9847	0.000	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.359	2	107.8850	0.129	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9110	0.000	1	107.4412	1.091	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0010	0.037	2	107.4412	1.091	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6465	1.501	2	107.4412	1.091	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3440	0.000	1	108.3440	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5450	0.000	1	107.7440	0.079	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.7440	0.079	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[5,6]CH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6140	0.000	1	107.6140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	107.9810	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8120	0.000	1	107.6390	0.060	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4660	0.000	1	107.6390	0.060	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8630	0.000	1	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8995	0.100	2	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9840	0.000	1	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.092	2	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.000	1	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7945	0.011	2	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7150	0.000	1	107.8385	0.009	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9970	0.000	1	106.5720	29.049	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.8595	7.420	2	106.5720	29.049	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3870	0.000	1	104.7060	27.100	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	101.0250	0.000	1	104.7060	27.100	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6570	0.000	1	107.7704	0.575	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1530	0.274	2	107.7704	0.575	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6030	0.000	1	107.7704	0.575	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0660	0.000	1	107.7704	0.575	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8437	0.127	3	107.7704	0.575	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7615	0.117	2	107.8120	0.027	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8457	0.206	3	107.8120	0.027	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8158	0.023	5	107.8160	0.005	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.000	1	107.8160	0.005	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8112	0.104	6	107.8160	0.005	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2790	0.000	1	107.2450	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CC)(H)2{1|Fe<10>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2110	0.000	1	107.2450	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2320	0.000	1	107.3430	0.025	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4540	0.000	1	107.3430	0.025	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6260	0.000	1	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4215	0.151	4	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8990	3.580	6	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.080	3	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7030	0.000	1	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3210	0.460	2	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6710	0.000	1	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7427	0.083	3	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6910	0.000	1	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9880	0.205	2	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7070	0.000	1	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5876	0.240	12	107.5173	1.855	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4620	0.000	1	109.4620	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]O[6]CH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6690	0.000	1	107.6690	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CC)(C[6]O[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8295	0.023	2	107.8295	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7298	0.043	5	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7250	0.000	1	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8360	0.087	3	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7400	0.000	1	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7077	0.115	6	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5425	0.223	13	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4588	0.284	5	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7430	0.000	1	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0820	0.000	1	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3950	0.000	1	107.6063	0.089	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8830	0.000	1	108.7510	1.507	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6190	0.000	1	108.7510	1.507	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3360	0.000	2	107.3360	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]CI)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4890	0.000	1	107.4890	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7198	0.097	6	107.8415	0.028	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9100	0.000	1	107.8415	0.028	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1820	0.000	1	107.8415	0.028	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9310	0.122	3	107.8415	0.028	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.000	1	107.8415	0.028	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7610	0.000	1	108.0630	0.070	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2140	0.054	2	108.0630	0.070	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]BrH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7560	0.000	1	107.7560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6950	0.025	2	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4390	0.000	1	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0285	0.018	2	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.000	2	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0880	0.000	1	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8170	0.000	1	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6350	0.000	1	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5493	0.108	7	107.7092	0.043	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0950	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1320	0.269	4	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0284	0.108	5	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9805	0.165	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7946	1.001	10	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1706	1.754	7	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9470	0.010	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7430	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.0180	4.124	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0600	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6887	0.027	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7247	0.202	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9705	1.423	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6810	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7905	0.022	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4190	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0700	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9300	0.071	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0993	0.030	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3410	0.782	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9100	0.065	2	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7743	0.238	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7280	0.000	1	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0307	0.234	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1127	0.118	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1667	0.668	6	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1028	0.178	5	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3230	0.956	3	107.8825	0.943	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5700	0.000	1	107.5700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4530	0.000	1	107.7322	0.164	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8780	0.000	1	107.7322	0.164	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8307	0.111	3	107.7322	0.164	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9042	0.068	5	107.7322	0.164	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4940	0.000	1	107.7322	0.164	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8405	0.114	2	107.7322	0.164	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.085	2	108.1908	0.681	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6240	0.000	1	108.1908	0.681	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4150	0.000	1	108.1908	0.681	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9410	0.000	1	107.7335	0.086	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5260	0.000	1	107.7335	0.086	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4578	2.361	4	106.4578	5.576	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5540	0.000	1	107.5140	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4740	0.000	1	107.5140	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0210	0.000	1	108.0887	0.735	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5090	0.000	1	108.0887	0.735	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7167	0.986	3	108.0887	0.735	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9705	0.062	2	108.0887	0.735	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[5,6]HN)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7433	0.113	3	107.7433	0.013	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5120	0.000	1	107.7405	0.104	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9690	0.000	1	107.7405	0.104	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7100	0.000	1	107.7100	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4450	0.000	1	108.1849	0.525	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8070	0.000	1	108.1849	0.525	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.000	1	108.1849	0.525	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5490	0.000	1	108.1849	0.525	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2860	0.679	2	108.1849	0.525	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.000	1	108.1849	0.525	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.000	1	107.9590	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]2)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5940	0.000	1	107.5940	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1960	0.000	1	108.1960	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	107.9650	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[5a]H)(C[6]N[6]HO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0730	0.000	1	108.0730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9720	0.070	3	107.9258	0.029	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5950	0.000	1	107.9258	0.029	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.000	1	107.9258	0.029	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0550	0.000	1	107.9258	0.029	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2910	0.000	1	107.2910	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4120	0.000	1	107.4120	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CH)(H)2{1|C<4>,2|N<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8625	0.069	2	107.8625	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|C<4>,1|N<2>,2|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8363	0.035	7	107.7051	0.070	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]CO)(H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2460	0.113	2	107.7051	0.070	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C[6a]O)(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5880	0.000	1	107.5880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]HN)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4550	0.000	1	107.4550	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2990	0.000	1	108.0500	0.124	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.000	1	108.0500	0.124	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HO)(H)2{1|H<1>,1|S<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3550	0.045	2	107.3550	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]N[5a,6]HO)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9345	0.114	2	107.9345	0.013	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]CO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.000	1	107.7510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8790	0.000	1	108.9255	1.818	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9720	0.000	1	108.9255	1.818	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]C[6a]O)(C[6]C[6,6a]CH)(H)2{1|O<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	107.8240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClC)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1670	0.051	2	107.1670	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[5,6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9510	0.000	1	107.9510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8890	0.000	1	106.8890	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3910	0.000	1	107.9898	0.052	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	107.9898	0.052	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8870	0.000	1	107.9898	0.052	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.085	2	107.9898	0.052	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]FH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9420	0.000	1	107.9420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Ir<10>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0630	0.071	2	108.0255	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]B[6]HH)(H)2{1|Zr<15>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9880	0.000	2	108.0255	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3570	0.000	1	107.9207	0.088	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7753	0.069	3	107.9207	0.088	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3790	0.925	2	107.3790	0.855	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8868	0.253	4	107.8521	0.027	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8395	0.134	11	107.8521	0.027	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1090	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0203	0.046	3	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6215	0.110	2	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0780	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0500	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1642	0.065	4	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8845	0.414	2	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2490	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0330	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3316	0.645	5	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4100	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8828	0.321	4	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9030	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4659	2.208	7	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8540	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1600	0.000	1	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.090	4	108.1048	0.795	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5760	0.059	2	107.7448	0.032	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	107.7448	0.032	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7930	0.075	2	107.7448	0.032	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|O<2>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9870	0.000	1	107.6240	0.264	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]2H)(H)2{1|H<1>,1|O<2>,6|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2610	0.000	1	107.6240	0.264	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5540	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0880	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5730	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6530	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0495	0.013	2	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5940	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.5570	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8415	0.108	2	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3910	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{1|Mn<8>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5990	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7280	0.279	2	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0730	0.000	1	108.0213	2.238	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0697	0.078	3	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.0210	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2650	0.683	6	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8440	0.033	3	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6840	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8590	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.143	6	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8815	0.289	2	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6620	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7692	1.647	5	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8457	0.080	7	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0640	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1370	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9570	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0489	0.076	7	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.017	2	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|I<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0884	0.060	5	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0780	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9595	0.026	2	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9190	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5040	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7485	0.425	2	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7685	0.081	2	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6165	1.600	4	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8127	0.216	3	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7572	2.141	12	107.6128	1.499	83	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8680	0.079	2	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.7500	0.000	1	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7970	0.000	1	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4855	0.066	2	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7410	0.000	1	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9060	0.000	1	107.4271	1.038	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0840	0.000	1	108.0888	0.017	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	108.0888	0.017	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	108.0888	0.017	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2480	0.000	1	108.0888	0.017	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]FeC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]FeC)(H)2{1|Fe<10>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	115.5520	0.000	1	115.5520	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0233	0.036	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1800	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4797	1.396	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9710	0.187	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1545	0.084	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1690	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0335	0.149	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2520	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8160	0.281	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2440	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9300	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0841	0.414	20	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1630	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0885	0.054	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9965	0.848	38	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1960	0.123	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0180	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8198	1.427	18	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2213	1.303	41	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2450	0.069	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4167	0.921	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4476	1.096	5	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1620	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7162	0.325	5	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0255	1.631	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4926	0.530	20	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3313	1.498	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6899	0.482	12	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9686	0.139	10	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2310	0.979	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2210	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0060	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8877	0.058	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9340	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0200	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3318	1.463	10	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.7060	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0570	0.932	70	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8721	0.161	15	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9639	0.326	14	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0884	0.183	8	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1640	1.147	12	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9453	0.055	6	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0507	0.070	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4510	2.622	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8738	0.214	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0186	0.059	5	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2080	0.065	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9877	0.113	10	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7289	2.000	185	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0122	0.138	8	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0525	0.064	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8980	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1703	0.106	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4192	0.901	6	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7495	0.173	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9900	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3414	1.363	16	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9660	0.088	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0055	0.933	97	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1490	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.103	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2900	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<10>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Fe<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9399	0.177	19	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|I<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1410	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,1|S<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4490	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2027	0.058	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0255	0.026	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9632	0.255	5	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4260	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6303	1.403	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0798	0.168	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.154	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5012	0.655	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2625	0.159	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.044	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2220	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2442	0.034	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3857	1.101	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2969	0.785	21	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3583	4.285	5	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0482	0.244	6	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1772	2.534	19	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7205	2.214	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Re<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9410	0.024	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Rh<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1625	0.713	14	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.052	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9116	0.203	5	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Se<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1180	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<12>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.058	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1010	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Ti<8>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0120	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<12>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.7343	4.581	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<13>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5644	0.823	7	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{1|Zr<14>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8759	0.143	7	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3409	0.703	7	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8495	0.688	71	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6415	0.871	4	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2480	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4947	1.680	70	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.044	2	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0231	0.240	45	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2460	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1460	0.000	1	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8617	0.122	3	107.8975	1.738	1081	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9660	0.000	1	107.3572	1.653	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5770	0.000	1	107.3572	1.653	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0650	0.000	1	107.3572	1.653	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5890	2.124	2	107.3572	1.653	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9968	1.903	9	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.000	1	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9540	0.000	1	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8208	0.118	6	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1535	0.757	2	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7440	0.000	1	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8185	0.108	2	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0640	1.153	5	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.000	1	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.000	1	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9608	0.062	4	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2985	1.238	4	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9870	0.000	1	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9140	0.120	3	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7773	0.063	3	107.8556	1.275	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]PtH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]PtH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8500	0.000	1	107.8500	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]C[6]SiH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9200	0.000	1	107.9200	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1020	0.000	1	107.8314	0.936	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2638	0.042	4	107.8314	0.936	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]HS)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6460	0.000	1	107.6460	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8920	0.000	1	107.7385	0.047	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5850	0.000	1	107.7385	0.047	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0570	0.000	1	107.0570	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0310	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9975	0.112	2	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0503	0.045	3	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2090	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1135	0.095	2	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1200	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2790	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3710	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9260	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1390	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8395	0.545	6	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8770	0.000	1	108.0172	0.100	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	113.7690	0.000	1	113.7690	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9084	1.699	7	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5408	0.655	5	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2973	0.107	3	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8680	0.000	1	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2573	0.014	3	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1305	0.138	6	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8785	0.054	2	108.4124	0.862	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0336	0.134	5	108.0390	0.015	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0660	0.000	1	108.0390	0.015	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]Si[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	99.3411	0.000	1	99.3411	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6210	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8770	0.075	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8410	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9055	0.071	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9034	1.034	26	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1530	1.574	3	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8695	0.144	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,1|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5510	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5030	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3040	0.044	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8770	0.045	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1985	0.047	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1625	0.285	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8495	0.043	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6820	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0440	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5880	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9240	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2100	2.732	4	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6025	0.896	2	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9040	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|Se<2>,1|O<2>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1490	0.000	1	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3765	0.983	6	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9809	0.261	7	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)2(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9187	0.094	3	107.7717	1.021	79	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8175	0.129	2	107.8520	0.007	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.064	3	107.8520	0.007	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HI)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6815	0.043	2	107.6815	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7930	0.000	1	107.7807	0.010	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7540	0.000	1	107.7807	0.010	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9100	0.000	1	107.7807	0.010	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[5,6]HO)(H)2{2|Se<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6660	0.000	1	107.7807	0.010	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1750	0.000	1	104.1750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8960	0.000	1	106.8890	2.028	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.8820	0.000	1	106.8890	2.028	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7520	0.092	2	107.9514	0.032	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2600	0.000	1	107.9514	0.032	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9800	0.000	1	107.9514	0.032	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.000	1	107.9514	0.032	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HN)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0005	0.064	2	107.9514	0.032	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2570	0.000	1	107.8044	0.098	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5170	0.000	1	107.8044	0.098	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.000	1	107.8044	0.098	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6295	0.094	2	107.8044	0.098	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6,6]HO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2038	0.108	5	107.2038	0.012	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2760	0.000	1	108.1594	3.537	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.7150	0.000	1	108.1594	3.537	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9630	0.000	1	108.1594	3.537	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.000	1	108.1594	3.537	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5727	2.365	4	108.1594	3.537	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5610	0.228	3	107.5610	0.052	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7740	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0285	0.234	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9250	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5010	1.905	4	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1230	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2911	0.511	8	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0480	0.180	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4775	0.112	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9530	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1280	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3040	0.570	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0970	0.000	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1480	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Fe<8>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0011	0.186	10	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0323	0.123	3	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9230	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8430	0.000	1	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{1|Ru<6>,1|Ru<7>,1|C<4>,1|C<5>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8865	0.004	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4886	1.351	5	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.175	2	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8443	0.139	6	108.2802	0.734	59	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1810	0.000	1	108.1810	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.9860	0.000	1	111.9860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4760	0.000	1	106.4720	2.016	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.4680	0.000	1	106.4720	2.016	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6487	0.078	3	107.6487	0.006	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]HS)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9240	0.000	1	107.9240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7895	0.301	2	107.7895	0.090	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]HO)(H)2{1|C<4>,2|H<1>,2|N<2>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.024	3	107.8490	0.001	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]N[5a]H)(C[6]C[5,6]OO)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3170	0.000	1	108.3170	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]RuH)(C[6]C[6]HH)(H)2{1|Ru<7>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6920	0.092	2	107.6920	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5210	0.000	1	107.5210	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.000	3	107.9538	0.009	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0570	0.000	2	107.9538	0.009	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5,6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0260	0.000	1	108.0260	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8374	0.090	5	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7070	0.034	2	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<8>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7640	0.165	2	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Mo<9>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7075	0.144	2	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|Sm<15>,2|N<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6292	0.284	5	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<8>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7900	0.492	2	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]2C[6])(C[6]C[6]HH)(H)2{2|W<9>,4|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6140	0.028	2	107.7249	0.042	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6780	0.000	1	107.6780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6,6]HH)(H)2{1|Re<8>,1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.000	1	108.0610	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5340	0.000	1	107.5593	2.978	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7900	0.093	4	107.5593	2.978	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ru<8>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8670	0.235	2	107.5593	2.978	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Ti<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6620	0.000	1	107.5593	2.978	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7765	4.689	2	107.5593	2.978	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]C)(C[6]C[6]HH)(H)2{1|Zr<13>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5345	0.162	2	107.5593	2.978	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]F)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9050	0.000	1	107.9050	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[3,6]HO)(H)2{2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8760	0.000	1	107.8760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3260	0.000	1	108.3260	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7700	0.000	1	107.7700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	107.8700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Hf<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6295	0.062	2	107.5788	0.505	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Rh<8>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9920	0.000	1	107.5788	0.505	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7085	0.012	2	107.5788	0.505	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7335	0.105	2	107.5788	0.505	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{1|Zr<14>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7775	0.054	2	107.5788	0.505	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3320	1.127	6	107.5788	0.505	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]CO)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.9430	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8630	0.082	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8375	0.091	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9920	0.938	6	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5530	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9620	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9717	0.095	6	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9817	0.127	3	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1170	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1510	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1745	0.487	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0225	0.026	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9035	0.032	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2950	0.045	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.5210	0.371	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0305	0.057	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8180	0.044	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7930	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2230	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4190	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7760	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0410	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1260	1.178	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0063	0.073	3	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2550	0.034	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8920	0.141	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1090	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Co<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9940	0.078	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9367	0.089	4	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mn<10>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.083	7	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Mo<9>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8455	0.142	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9798	0.103	14	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9758	0.091	4	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7350	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9905	0.071	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<10>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1520	3.839	4	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9897	0.114	6	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Os<11>,1|P<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0038	0.119	5	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5125	0.043	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Ru<11>,1|P<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4885	0.023	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|Zr<12>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8977	0.078	6	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.000	1	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9521	0.141	8	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3230	3.841	2	107.9270	0.833	129	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9470	0.018	2	107.9470	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[5a,6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7970	0.000	1	107.7970	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Cr<8>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9270	0.031	2	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0540	0.030	2	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0362	0.115	5	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0287	0.110	3	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|Ti<12>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9437	0.040	3	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<10>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.337	4	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<11>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1020	0.073	6	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]N[6]HH)(H)2{1|V<9>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0190	0.076	2	108.0224	0.021	27	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CC)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6020	0.000	1	107.6020	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7360	0.000	1	106.7360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]H)2(H)2{1|C<4>,4|H<1>,4|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6380	0.000	1	109.6380	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9090	0.000	1	107.9090	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.091	2	107.8666	0.012	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8275	0.065	6	107.8666	0.012	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.048	2	107.8666	0.012	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8170	0.000	1	107.8666	0.012	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6250	0.000	1	107.8666	0.012	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9700	0.109	2	107.8666	0.012	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]O)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3150	1.386	2	108.3150	1.921	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]C[6]S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7140	0.000	1	107.7140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]N[6]H)(C[6]N[6]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2340	0.096	3	108.2340	0.009	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0320	0.000	1	108.0320	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7120	0.000	1	107.7120	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	108.1645	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]HH)(H)2{1|O<2>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2350	0.000	1	108.1645	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]H)(C[6]C[6]SS)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1110	0.000	1	108.1110	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2190	0.000	1	110.2190	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5]O[6]O)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9780	0.000	2	107.9780	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8532	0.023	5	107.8558	0.005	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8920	0.131	3	107.8558	0.005	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8080	0.001	2	107.8558	0.005	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5030	0.000	1	107.6525	0.045	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8020	0.000	1	107.6525	0.045	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]FF)(H)2{1|N<2>,1|N<3>,2|F<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1430	0.000	1	108.1430	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6527	0.955	4	108.3865	0.721	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8540	0.144	2	108.3865	0.721	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7100	0.000	1	108.6215	1.662	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5330	0.000	1	108.6215	1.662	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.000	1	108.1370	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.040	2	107.8940	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]CH)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9660	0.000	1	107.9660	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[5,6]C[6a]H)(H)2{8|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9665	0.067	2	107.9665	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6265	0.004	2	107.6583	0.003	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CC)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7220	0.000	1	107.6583	0.003	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8190	0.000	1	107.8190	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]CC)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5500	0.000	1	107.5500	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8660	0.000	1	107.8660	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HO)(H)2{1|S<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8355	0.120	2	107.8355	0.014	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]CH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	107.9210	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6900	0.168	2	107.6900	0.028	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6310	0.000	1	107.6953	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7970	0.000	1	107.6953	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4900	0.000	1	107.6953	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7570	0.000	1	107.6953	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6220	0.000	1	107.6953	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	107.6953	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2890	0.058	2	107.2890	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4484	0.196	8	107.4484	0.038	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4220	0.000	1	106.4220	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7470	0.000	1	107.3827	0.471	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2005	0.862	2	107.3827	0.471	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4570	0.000	1	107.5597	2.649	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.4610	0.000	1	107.5597	2.649	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9000	0.000	1	107.5597	2.649	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8720	0.099	2	107.5597	2.649	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8480	0.210	3	107.5597	2.649	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9310	0.000	1	107.5597	2.649	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.4790	0.000	1	111.4790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]FH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0210	0.000	1	108.0210	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8600	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9710	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4570	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5580	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8945	0.094	2	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8216	3.337	13	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7702	0.229	18	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8168	0.479	5	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8795	0.124	2	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8844	0.828	50	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8250	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9090	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9790	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.033	2	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5033	2.355	3	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6180	0.000	1	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5224	0.834	7	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8309	0.887	80	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9220	0.145	4	107.9184	1.381	196	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9458	0.299	4	107.9458	0.089	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4390	0.000	1	108.3370	0.021	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2350	0.000	1	108.3370	0.021	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1335	0.066	2	108.1335	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7880	0.000	1	107.7190	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6500	0.000	1	107.7190	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7950	0.000	1	107.8805	0.015	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9660	0.000	1	107.8805	0.015	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HN)(C[6]S[6]CH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6150	0.064	2	107.6150	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[3,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8490	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7000	0.011	2	107.6737	0.002	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6210	0.000	1	107.6737	0.002	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6560	0.000	1	107.6560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9950	0.000	1	107.6317	0.285	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8510	0.000	1	107.6317	0.285	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3405	0.711	2	107.6317	0.285	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a,6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2400	0.000	1	108.2400	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5786	0.181	14	107.6256	0.034	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7703	0.067	3	107.6256	0.034	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]2C[6])(C[6]C[6]HH)(H)2{2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.6256	0.034	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2510	0.617	2	109.2510	0.380	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6,6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8350	0.000	1	107.8350	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8960	0.000	1	107.8960	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8285	0.018	2	107.8285	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[5a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5830	0.000	1	107.5830	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0645	0.062	2	108.0645	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5460	0.000	1	107.5460	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6900	0.000	1	107.6900	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|W<7>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8870	0.000	1	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3210	0.205	3	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0593	0.788	3	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9790	0.123	3	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1520	0.068	2	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0575	0.063	4	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0990	0.000	1	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3650	0.000	1	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3960	0.425	4	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2215	0.252	2	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9385	0.056	2	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8960	0.000	1	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7770	0.000	1	108.0550	0.214	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.000	1	108.2110	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0905	0.185	2	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0553	0.093	6	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.091	5	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3020	0.301	2	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0550	0.000	1	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4415	0.080	2	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0950	0.068	2	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0267	0.064	4	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.027	2	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8300	0.089	2	108.1490	0.152	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]N)(C[6]N[6]HH)(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.052	2	107.9600	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8453	0.051	10	107.8729	0.005	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9520	0.088	2	107.8729	0.005	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9315	0.054	2	107.8729	0.005	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]C[6]O)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4965	2.464	2	109.4965	6.073	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7420	0.000	1	107.7420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8435	0.117	2	108.0550	0.119	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3315	0.450	2	108.0550	0.119	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9250	0.000	1	108.0550	0.119	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0455	0.074	2	108.0757	0.005	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5a]O[6]H)(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1360	0.000	1	108.0757	0.005	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7630	0.037	3	107.6423	0.032	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,20x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|Fe<10>,3|C<4>,4|H<1>,5|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5217	0.185	3	107.6423	0.032	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|C<6>,2|H<1>,4|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0895	0.153	2	107.5055	0.120	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,5|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8070	0.000	1	107.5055	0.120	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,5|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6070	0.113	2	107.5055	0.120	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,5|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8330	0.000	1	107.5055	0.120	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6]C[6]HO)(H)2{2|H<1>,5|B<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6530	0.000	1	107.6530	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[5x6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.000	1	107.9890	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]B[6a]B[5])(C[6]C[6]HH)(H)2{2|C<4>,2|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	108.0510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6460	0.000	1	107.6460	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3185	0.074	2	107.7256	0.116	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5502	0.045	5	107.7256	0.116	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6,6]HH)(H)2{1|Se<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5710	0.102	2	107.7256	0.116	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1550	0.000	1	108.1400	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1250	0.000	1	108.1400	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3020	0.000	1	107.7440	2.245	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2930	0.000	1	107.7440	2.245	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6370	0.000	1	107.7440	2.245	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]BrH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8223	0.205	3	107.8223	0.042	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.6315	4.436	2	106.5738	8.064	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8687	0.048	3	106.5738	8.064	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8360	0.000	1	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6920	0.000	1	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8516	0.174	17	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7232	0.065	6	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7707	0.068	6	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7570	0.000	1	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6500	0.130	6	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7205	0.129	2	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4630	0.000	1	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0040	0.000	2	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4350	0.000	1	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|Cr<9>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6110	0.400	2	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.3290	0.000	1	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6700	0.273	7	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5800	0.088	5	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6869	0.141	12	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3578	1.238	6	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6958	0.301	212	107.7025	0.144	289	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HI)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8445	0.026	2	107.8445	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5091	1.579	7	108.5091	2.493	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CC)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5330	0.000	1	107.5330	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9241	0.106	7	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8540	0.115	2	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0515	0.071	2	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8575	0.149	2	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8080	0.000	1	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.094	4	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6930	0.000	1	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7620	0.000	1	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8965	0.131	2	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7180	0.000	1	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6530	0.000	1	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0450	0.000	1	107.8878	0.016	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.000	1	108.7485	0.618	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4265	0.074	2	108.7485	0.618	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1410	0.000	1	108.7485	0.618	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7290	0.109	2	107.7290	0.012	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.000	1	107.7422	0.045	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9795	0.013	2	107.7422	0.045	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4600	0.000	1	107.7422	0.045	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.000	1	107.7422	0.045	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7880	0.000	1	107.7422	0.045	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5505	0.187	2	107.7422	0.045	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3060	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6390	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0540	1.748	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7660	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6610	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9783	0.413	6	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9093	0.037	4	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9086	0.189	5	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9947	0.067	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9248	0.108	12	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8388	0.029	4	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9213	0.034	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4940	1.177	2	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6470	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7670	0.043	4	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4127	0.872	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7718	0.206	9	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,1|S<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.053	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6667	0.116	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4830	0.479	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9850	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|Ir<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6570	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6450	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2010	1.118	3	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8640	0.000	1	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8123	0.102	6	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8732	0.098	5	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3939	0.997	17	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8125	0.120	13	107.9992	0.444	123	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HN)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4150	0.000	1	109.4150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5200	0.000	2	107.9264	0.078	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7850	0.000	1	107.9264	0.078	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7090	0.000	1	107.9264	0.078	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.069	2	107.9264	0.078	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1525	0.162	6	107.9264	0.078	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1790	0.000	1	108.1790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4160	0.000	1	107.3700	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3240	0.000	1	107.3700	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4100	0.000	1	107.6160	0.085	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8220	0.000	1	107.6160	0.085	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1190	0.000	1	108.1727	0.022	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1995	0.202	2	108.1727	0.022	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1880	0.000	1	108.1880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2960	0.000	1	105.2960	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9963	0.816	3	108.9963	0.666	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9850	0.000	1	107.9850	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|Cr<9>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9903	0.078	4	107.8834	0.020	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7630	0.000	1	107.8834	0.020	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9090	0.000	1	107.8834	0.020	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7170	0.065	2	107.8834	0.020	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2640	0.000	1	106.2640	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7970	0.000	1	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9710	0.000	1	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5610	0.000	1	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.000	1	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8133	0.079	3	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7075	0.011	2	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9431	0.541	11	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8785	0.234	2	107.9134	0.209	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]CS)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0700	0.000	1	108.0700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]C)(C[6]C[6,6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4940	0.000	1	107.4940	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7530	0.000	1	108.0115	0.134	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5]H)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2700	0.000	1	108.0115	0.134	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{1|N<2>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.000	1	107.7802	0.046	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[5a]C)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7107	0.201	3	107.7802	0.046	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7970	0.000	1	107.7970	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.000	1	107.9644	0.008	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0470	0.057	2	107.9644	0.008	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9165	0.110	2	107.9644	0.008	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0600	0.000	1	107.9644	0.008	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9690	0.000	1	107.9644	0.008	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8580	0.010	2	107.9644	0.008	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.256	3	107.9230	0.066	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5755	0.089	6	107.5755	0.008	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4820	0.269	2	107.4820	0.072	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7280	0.000	1	107.7280	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6,6]HO)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4920	0.000	1	109.4920	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7110	0.000	1	107.7110	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]CO)(H)2{1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0850	0.000	1	108.0850	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0360	0.000	1	108.0360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9105	0.136	2	107.9105	0.019	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{2|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0790	0.000	1	108.0790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7693	0.204	3	107.7693	0.042	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5720	0.000	1	106.5720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9790	0.000	1	107.9790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5290	0.000	1	107.5290	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	0.000	1	107.8618	0.022	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8157	0.122	4	107.8618	0.022	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HO)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0170	0.000	1	108.0170	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]C[6a]O)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9720	0.000	1	107.9720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]C[6,6]HH)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5870	0.049	2	107.5870	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	108.0290	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]FF)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7660	0.000	2	107.7660	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HI)(H)2{1|Se<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4985	0.101	2	107.4985	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	108.0707	0.184	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8260	0.000	1	108.0707	0.184	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.000	1	108.0707	0.184	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3440	0.000	1	108.0707	0.184	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7825	0.074	2	108.0707	0.184	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{1|C<3>,1|H<1>,1|N<3>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4360	0.000	1	107.3175	0.028	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2C)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1990	0.000	1	107.3175	0.028	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0470	0.000	1	107.6697	0.110	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{2|C<3>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4240	0.000	1	107.6697	0.110	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]2H)(H)2{3|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5380	0.000	1	107.6697	0.110	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.077	3	107.8420	0.006	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrC)(H)2{1|Br<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6550	0.000	1	107.6550	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4610	0.000	1	108.2490	0.018	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1200	0.000	1	108.2490	0.018	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2165	0.063	2	108.2490	0.018	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1770	0.000	1	108.2490	0.018	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]BrH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2760	0.188	2	108.2490	0.018	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0639	0.527	8	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6880	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8704	0.119	12	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7872	0.268	5	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8090	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6093	0.488	6	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9437	0.709	23	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8230	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5860	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8143	0.122	3	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6250	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6050	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5078	0.075	4	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5473	0.116	3	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.000	1	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5370	0.991	42	107.7240	0.529	113	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2530	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0920	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0615	0.132	2	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8840	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8833	0.408	8	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.018	2	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0805	0.168	2	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0750	0.148	3	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9774	0.084	5	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0445	0.070	2	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|S<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.3030	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9892	0.144	6	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2270	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6793	2.080	25	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1013	0.050	4	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0140	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8187	0.129	4	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0533	0.044	3	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9225	0.175	2	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7470	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7647	0.484	11	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.1158	7.192	4	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1090	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9259	0.185	12	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.192	3	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6392	1.235	40	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7147	0.671	42	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.000	1	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1294	0.470	10	107.8763	2.160	202	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7245	0.111	2	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0892	1.272	4	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6984	0.384	5	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5630	0.000	1	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6767	0.023	3	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0775	0.114	2	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8628	0.089	5	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.000	1	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7440	0.000	1	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5500	0.000	1	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7707	0.100	21	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]CO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6740	0.000	1	107.6901	0.197	47	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClC)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.000	1	107.8650	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2950	0.087	7	108.1929	0.029	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1795	0.023	2	108.1929	0.029	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1190	0.035	2	108.1929	0.029	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0367	0.318	3	108.1929	0.029	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1210	0.000	1	108.1929	0.029	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7700	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8000	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2100	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8880	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9087	0.674	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0835	0.086	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2860	1.869	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6870	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1170	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1270	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0230	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9059	0.590	8	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.5910	4.166	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6990	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3770	0.696	12	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1130	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9298	0.409	21	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9350	0.613	41	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3844	2.203	43	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0030	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4120	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8695	0.841	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9370	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9593	0.411	20	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7419	0.857	9	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1590	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9648	0.375	39	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8524	0.382	11	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9671	0.081	16	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0482	0.549	42	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2407	0.946	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8430	0.268	5	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6337	1.559	24	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9929	0.097	9	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0196	0.160	102	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2784	0.162	9	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1840	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2990	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9520	0.030	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9595	0.135	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9348	0.091	5	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0649	1.197	13	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2514	1.890	54	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9597	2.002	70	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4625	1.879	8	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1110	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7243	1.263	13	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1903	1.066	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9347	0.093	7	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1030	0.169	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0221	0.071	12	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7781	1.067	44	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9550	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|F<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1845	0.087	6	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5610	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0437	0.097	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0083	0.123	6	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3460	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0297	0.337	23	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0730	0.026	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1670	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.4000	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|B<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9684	0.126	5	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1650	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9255	0.407	4	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0350	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8540	0.953	6	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|In<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5290	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2050	0.000	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8717	0.393	22	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6332	2.707	17	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.037	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2310	0.127	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0969	0.198	7	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9415	0.114	6	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3430	0.113	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0197	0.085	6	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0715	0.382	56	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3015	0.645	13	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0090	0.033	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.169	3	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3918	1.670	19	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8935	0.449	2	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2212	0.082	4	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9349	0.848	14	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9941	0.112	34	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5710	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0500	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9805	1.359	120	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2720	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0400	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8617	1.036	37	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1992	0.117	6	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|S<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6683	1.547	9	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9957	0.840	95	108.0107	1.309	1237	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3700	0.000	1	108.2580	0.025	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HI)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1460	0.000	1	108.2580	0.025	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9030	0.127	2	108.1008	0.043	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1667	0.194	12	108.1008	0.043	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0655	0.194	2	108.1008	0.043	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1890	0.000	1	108.1008	0.043	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0184	0.256	5	108.1008	0.043	22	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2300	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1583	0.092	3	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9520	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1880	0.045	2	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3310	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3170	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0935	0.154	8	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2554	4.982	5	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.2637	7.953	2	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1641	0.254	107	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9719	0.158	8	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0369	0.258	45	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4210	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0110	0.283	11	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5295	0.729	6	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9990	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1230	0.040	2	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3356	4.477	10	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8660	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0395	0.098	2	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9540	0.000	1	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1147	0.055	3	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4488	1.398	194	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0781	0.523	142	108.2442	1.595	561	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HS)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.0890	0.000	1	104.0890	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]NN)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8550	0.000	1	107.8550	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9580	0.000	1	107.9580	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]SeH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	107.9360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]CO)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7780	0.037	2	107.7780	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2609	0.172	19	108.2230	0.029	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0180	0.049	2	108.2230	0.029	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1457	0.110	4	108.2230	0.029	25	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[5,6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0340	0.000	1	108.0340	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9358	0.071	5	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1560	0.000	1	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0736	0.080	7	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8473	0.114	4	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0990	0.000	1	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0310	0.116	2	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0853	0.100	11	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2310	0.000	1	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|C<4>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0070	0.000	1	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9383	0.221	3	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8265	0.879	8	107.9432	0.235	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6560	3.140	2	107.6560	9.857	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|Al<4>,1|Zr<7>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7220	0.000	1	107.2129	1.972	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8740	0.105	2	107.2129	1.972	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2667	1.831	3	107.2129	1.972	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2200	0.000	1	107.2129	1.972	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0890	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2590	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1593	0.189	3	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.514	4	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3700	1.580	6	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4410	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7360	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2980	0.042	2	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1490	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9410	0.106	8	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|P<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8511	0.615	7	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8060	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|H<1>,1|N<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9347	0.101	4	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9470	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0200	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]N[6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9100	0.000	1	107.8597	0.528	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.4690	0.000	1	107.2866	2.417	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2858	0.588	4	107.2866	2.417	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2060	0.963	3	107.2866	2.417	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4508	2.064	5	107.2866	2.417	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6030	0.000	1	107.2866	2.417	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2617	0.726	3	107.2866	2.417	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9100	0.000	1	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8250	0.000	1	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0687	0.061	3	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9787	0.111	3	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1225	0.296	2	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9530	0.000	1	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]CH)(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7338	1.263	4	108.2673	0.492	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1840	0.000	1	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1955	0.097	2	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	101.1157	17.443	2	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1060	0.000	1	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0840	0.000	1	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0317	0.905	18	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	113.0710	0.000	2	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9710	0.000	1	107.9172	17.199	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0420	0.000	1	108.7155	1.588	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0960	0.000	1	108.7155	1.588	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5387	1.375	4	108.7155	1.588	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]HS)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2500	1.187	4	108.2500	1.409	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]O[6]SeH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0560	0.000	1	108.0560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]P[6,6]HH)(H)2{1|O<2>,1|S<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1405	2.935	2	107.1405	8.615	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5349	0.609	40	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6010	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5230	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5177	0.606	120	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|B<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4743	0.412	36	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9105	0.030	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4450	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1095	0.105	4	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2280	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.126	4	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1150	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4490	1.378	32	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4370	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0935	0.098	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8455	0.022	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0880	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.896	4	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7290	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0400	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2060	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Eu<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6540	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9215	0.142	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8065	0.083	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8350	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1118	0.085	6	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<2>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1000	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0605	0.153	15	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1720	0.115	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9570	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4044	0.096	7	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4569	0.130	34	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ra<20>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3610	0.296	3	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9317	0.056	3	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<12>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4712	0.156	4	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Ti<13>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5847	0.016	3	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{1|Zr<14>,1|B<5>,1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6140	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0810	0.000	1	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.124	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7883	0.971	22	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)2(H)2{2|H<1>,3|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2345	0.043	2	107.6040	0.466	371	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]FH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1720	0.000	1	108.1720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2512	0.084	8	108.2028	0.027	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HN)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8150	0.000	1	108.2028	0.027	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]BrH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4300	0.000	1	108.4300	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4925	0.004	2	108.5983	1.072	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8000	0.000	1	108.5983	1.072	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6080	0.000	1	108.5983	1.072	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6395	0.025	2	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5733	0.033	4	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6130	0.000	1	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2810	0.110	4	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1240	0.000	1	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7435	0.408	2	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2180	0.000	1	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4120	0.437	2	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4700	0.000	1	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0995	0.165	2	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3868	1.028	4	108.0907	0.380	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7290	0.000	1	107.6916	0.016	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6110	0.000	1	107.6916	0.016	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5230	0.000	1	107.6916	0.016	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7975	0.083	2	107.6916	0.016	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9040	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4967	0.192	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8330	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0687	0.030	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.054	2	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7470	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2720	0.074	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9474	0.099	5	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1530	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2480	0.956	2	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7580	0.017	2	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1977	0.204	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9183	0.021	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2580	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3950	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.000	1	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9603	0.139	4	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0625	0.049	2	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9160	0.018	2	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9077	0.092	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2933	0.103	3	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9755	0.069	4	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0500	4.293	4	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0947	0.334	11	108.1317	1.065	67	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5070	0.000	1	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8150	0.000	1	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9130	0.000	1	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9502	0.156	5	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0540	0.000	1	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5540	0.000	1	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.103	2	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6850	0.000	1	108.0110	0.229	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[5,6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1560	2.319	2	106.1560	5.379	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1923	0.049	3	108.2070	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2510	0.000	1	108.2070	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7390	1.940	2	106.7390	3.765	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]S[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0600	0.000	1	108.0600	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]HP)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.5290	0.000	1	111.5290	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6]N[5]H)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	107.8240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]B[5]2)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,4|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	107.9960	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	0.119	3	108.0460	0.014	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6750	0.000	1	107.6750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6,6a]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6320	0.000	1	107.6320	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]BrH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4820	0.000	1	109.4820	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9998	0.407	4	107.1382	0.145	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4150	0.027	2	107.1382	0.145	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8118	0.076	6	107.6051	1.559	49	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9333	0.129	6	107.6051	1.559	49	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8475	0.011	2	107.6051	1.559	49	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7540	0.000	1	107.6051	1.559	49	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3870	1.733	25	107.6051	1.559	49	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7838	0.131	9	107.6051	1.559	49	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9030	0.000	1	107.9030	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9797	0.171	10	107.9797	0.029	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3000	0.011	2	107.3000	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.054	2	107.8967	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8995	0.050	2	107.8967	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]N[6]O[6]C)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3430	0.000	1	107.3430	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3916	0.247	8	107.3916	0.061	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CC)(C[6]O[6]CN)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3050	0.000	1	107.3050	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]FH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9110	0.290	2	107.9110	0.084	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7450	0.000	1	107.8150	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.000	1	107.8150	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.000	1	107.5612	1.090	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1008	0.238	6	107.5612	1.090	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0430	0.000	1	107.5612	1.090	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1910	0.000	1	107.5612	1.090	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0846	1.270	10	107.5612	1.090	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0053	0.147	10	108.0053	0.022	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[5,6]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5860	0.000	1	107.5860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6310	0.000	1	107.6310	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2240	0.000	1	107.0025	1.212	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7810	0.000	1	107.0025	1.212	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0390	0.000	1	108.0390	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8550	0.000	1	107.8550	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7457	0.058	3	107.7457	0.003	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HN)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.000	1	108.0080	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7680	0.074	2	107.7680	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CH)(C[6]S[6]HH)(H)2{2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4245	0.022	2	109.4245	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8520	0.000	1	107.8520	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CN)(C[6]N[6]CC)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9540	1.041	3	106.9540	1.083	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]C[5,6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.000	1	107.8010	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.000	1	107.9230	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]CO)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2340	0.000	1	108.2340	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5]O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7755	0.115	2	107.7755	0.013	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]C)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2650	0.000	1	107.2650	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0950	0.000	1	108.0950	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7280	0.000	1	106.7280	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9955	0.026	2	107.9955	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9300	0.000	1	107.9300	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CC)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5140	0.000	1	107.5140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]C)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8390	0.000	1	107.8390	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0900	0.035	2	108.0900	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8500	0.000	1	107.8500	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4070	0.000	1	107.4070	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6860	0.000	1	107.6860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8555	0.123	4	107.8892	0.012	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9565	0.028	2	107.8892	0.012	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HS)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.000	1	107.9380	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8057	0.042	3	107.8057	0.002	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]O[6]CC)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4401	0.071	20	107.4401	0.005	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9660	0.000	1	107.0510	0.003	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C)(C[6]S[6]CC)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0652	0.042	6	107.0510	0.003	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9820	0.000	1	107.9820	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1790	0.952	2	107.1790	0.906	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CO)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8660	0.000	1	107.8660	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8790	0.922	2	108.5867	1.335	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0930	0.097	4	108.5867	1.335	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2363	2.051	3	108.5867	1.335	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0280	0.000	1	108.5867	1.335	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O[6]O)(H)2{1|N<3>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1630	0.000	1	108.1630	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1000	0.000	1	107.9436	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9240	0.162	8	107.9436	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2340	0.023	2	108.1129	0.018	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0725	0.132	6	108.1129	0.018	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]O)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7360	0.000	1	107.7360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7560	0.000	1	107.7560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]CC)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8300	0.123	2	107.8300	0.015	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.000	1	108.1140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8980	0.000	1	107.8980	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1490	0.000	1	108.3111	0.338	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CO)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3314	0.618	8	108.3111	0.338	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]FH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8260	0.000	1	107.8260	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HO)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0307	0.908	3	108.0307	0.824	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HS)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4280	0.000	1	108.4280	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]ClH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1280	0.000	1	108.1280	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.000	1	108.1920	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5470	0.000	1	108.0792	0.079	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2338	0.058	4	108.0792	0.079	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.000	1	108.0792	0.079	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]FH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0430	0.000	1	108.0430	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[4,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3020	0.000	1	108.3020	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.8170	0.000	1	109.5635	10.157	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3100	0.000	1	109.5635	10.157	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	107.9953	0.101	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4060	0.000	1	107.9953	0.101	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9867	0.312	3	107.9953	0.101	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1320	0.000	1	107.9953	0.101	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7180	0.000	1	107.9953	0.101	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2588	0.049	4	107.9953	0.101	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HI)(H)2{2|C<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6610	0.000	1	109.6610	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6525	0.046	2	107.8373	0.104	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[5,6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2070	0.000	1	107.8373	0.104	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]CH)(H)2{1|C<4>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2720	0.000	1	108.2720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1990	0.000	1	107.9042	0.125	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1080	0.155	3	107.9042	0.125	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6535	0.163	2	107.9042	0.125	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4720	0.000	2	107.9042	0.125	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3640	0.000	1	107.9042	0.125	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7570	0.000	1	107.7570	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1268	0.096	6	108.1268	0.009	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9840	0.000	1	107.8793	0.008	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]BrH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8618	0.080	6	107.8793	0.008	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6763	0.093	3	108.6210	1.861	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5638	0.797	10	108.6210	1.861	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.000	1	108.6210	1.861	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.7540	0.000	1	108.6210	1.861	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CF)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8965	0.026	2	107.8965	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.000	1	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.000	1	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4832	1.457	4	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.2710	0.000	1	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5194	0.793	5	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4890	1.450	7	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3027	1.674	20	107.6508	3.002	39	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8920	0.000	1	106.8037	5.812	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4410	2.816	3	106.8037	5.812	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.198	2	107.9440	0.014	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9707	0.108	4	107.9440	0.014	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8830	0.000	1	107.9440	0.014	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]CS)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9690	0.000	1	107.9690	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]Cl2)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9413	0.880	3	108.9413	0.775	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|Cl<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.000	1	108.6965	3.018	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.2950	0.000	1	108.6965	3.018	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]ClH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7945	0.211	2	108.6965	3.018	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2223	0.140	3	108.2793	0.026	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]FH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4500	0.000	1	108.2793	0.026	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3115	0.163	2	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7494	0.759	5	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0592	2.236	19	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2240	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9456	0.242	5	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1107	0.042	3	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9000	1.190	12	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2820	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2927	0.047	3	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0220	0.088	2	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1163	0.235	4	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1816	0.085	19	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8830	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5858	0.866	12	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1570	0.041	3	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9650	0.651	2	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.471	10	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0765	0.011	2	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1290	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7092	0.653	11	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|B<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2920	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0641	0.207	7	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7861	0.983	86	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8001	0.640	8	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2830	0.000	1	108.0128	1.025	222	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2600	0.000	1	108.4580	0.253	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0790	0.000	1	108.4580	0.253	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3520	0.000	1	108.4580	0.253	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2955	0.033	2	108.4580	0.253	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4660	0.000	1	108.4580	0.253	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6410	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2610	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4880	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2420	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1360	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0860	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8680	0.000	1	107.6746	0.876	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1290	0.000	1	108.1355	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HP)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.000	1	108.1355	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0010	0.000	1	108.1417	0.015	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HS)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2120	0.000	2	108.1417	0.015	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.5985	0.508	2	109.8773	1.689	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]N[6]H)(H)2{1|N<3>,1|P<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4350	0.000	1	109.8773	1.689	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]O[6]H)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2660	0.000	1	108.2660	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]SeC)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2900	0.088	2	108.2900	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[3x6]HH)(H)2{1|C<5>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.8700	0.000	1	104.8700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.079	2	107.9810	0.006	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5,6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7670	0.000	1	107.7670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5]O[6]H)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5775	0.805	2	108.5775	0.649	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[5a,6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8593	1.584	7	106.8593	2.509	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3140	1.157	68	108.3140	1.340	68	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6,6a]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9958	0.116	4	107.9958	0.013	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CC)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7610	0.000	1	107.7610	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2780	0.000	1	107.9075	0.055	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1200	0.000	1	107.9075	0.055	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{1|P<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0200	0.000	1	107.9075	0.055	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9379	0.146	10	107.9075	0.055	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5443	0.911	7	108.1509	0.347	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3729	0.479	8	108.1509	0.347	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8033	0.562	3	108.1509	0.347	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0920	0.141	2	108.1509	0.347	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9528	0.415	17	108.1509	0.347	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0615	0.682	26	108.0615	0.465	26	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3139	0.803	10	108.3139	0.645	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1310	0.000	1	108.1310	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7237	0.845	4	108.7237	0.713	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HN)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2260	0.000	1	108.2260	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)2(H)2{1|C<3>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0507	0.644	3	106.8162	0.496	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1130	0.000	1	106.8162	0.496	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1225	1.958	2	109.1225	3.834	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0392	0.158	5	108.0367	0.016	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	108.0367	0.016	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0391	0.123	14	108.0367	0.016	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1840	0.000	1	108.1840	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]N[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8590	0.000	1	107.8590	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.065	2	108.0620	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2570	0.000	1	108.2570	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[5,6]HO)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5913	3.858	4	109.5913	14.880	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4733	2.327	3	106.4733	5.416	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]CO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7097	0.313	4	107.7097	0.098	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0563	0.141	3	107.7148	13.016	26	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9230	1.304	4	107.7148	13.016	26	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0307	0.020	3	107.7148	13.016	26	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2195	0.034	6	107.7148	13.016	26	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3314	5.572	10	107.7148	13.016	26	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HO)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0490	0.098	2	108.0490	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HP)(C[6]N[6]HP)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	107.9860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]HS)(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1317	0.109	3	108.1317	0.012	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{1|P<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0650	0.000	1	108.2508	0.015	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2973	0.077	4	108.2508	0.015	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1502	0.258	4	108.1502	0.067	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0685	0.022	2	108.0685	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[5a]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8680	0.000	1	107.8680	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2420	0.000	1	108.2420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8040	0.072	2	107.9075	0.036	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8360	0.000	1	107.9075	0.036	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2C)(C[6]C[6]HH)(H)2{1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1860	0.000	1	107.9075	0.036	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2F)(C[6]O[6]HH)(H)2{1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7615	2.358	2	109.7615	5.561	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CC)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6770	0.061	4	107.6770	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	107.7372	0.002	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7600	0.000	2	107.7372	0.002	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7335	0.080	2	107.7372	0.002	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]CH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7300	0.000	1	107.7372	0.002	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1030	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9620	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9052	0.120	4	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1010	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0057	0.170	7	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9846	1.275	8	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8840	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9240	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3020	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0165	0.086	4	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9841	0.093	8	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8321	0.097	8	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4650	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9223	0.299	4	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0185	0.058	4	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0420	0.082	2	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4170	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9287	0.032	3	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5018	2.127	4	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9478	0.066	5	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5753	2.078	3	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2934	2.255	12	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8120	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2940	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8550	0.138	7	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8770	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,1|S<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1000	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9900	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9708	1.334	12	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9710	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8350	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4133	1.263	10	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7430	0.000	1	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8433	2.120	7	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{2|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8950	0.120	3	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9663	0.173	4	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8346	0.101	5	107.7572	1.288	141	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0452	1.687	4	107.6342	0.699	33	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7113	0.673	28	107.6342	0.699	33	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]N[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8310	0.000	1	107.6342	0.699	33	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0090	0.051	2	108.1874	0.029	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2772	0.130	4	108.1874	0.029	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3690	0.000	1	108.1874	0.029	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HH)(H)2{1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1412	0.180	4	108.1874	0.029	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2H)(C[6]O[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4275	2.269	2	108.4275	5.149	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2N)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5930	0.000	1	107.5930	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3110	0.371	2	108.2431	2.453	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9535	0.006	2	108.2431	2.453	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8418	0.081	9	108.2431	2.453	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|F<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2690	4.129	3	108.2431	2.453	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7980	0.000	1	108.2431	2.453	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2O)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8487	0.052	4	108.2431	2.453	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7558	0.068	4	107.7183	0.006	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]2S)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6435	0.040	2	107.7183	0.006	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]AlH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AlH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9180	0.000	1	107.9180	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AsH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1854	0.078	5	108.1854	0.006	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]AuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2830	0.066	2	108.2830	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]AuH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8380	0.000	1	107.8380	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5530	0.000	1	107.8795	0.267	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6230	0.000	1	107.8795	0.267	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5630	0.000	1	107.8795	0.267	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8979	0.527	49	107.8795	0.267	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CC)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7300	0.000	1	107.7300	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8950	0.000	1	107.7600	0.036	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6250	0.000	1	107.7600	0.036	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.1880	0.000	1	107.1114	4.668	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2400	1.769	2	107.1114	4.668	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.9445	0.241	2	107.1114	4.668	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.000	1	107.9120	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8060	0.000	1	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2080	0.000	1	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9640	0.000	1	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.025	2	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6875	0.064	2	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8035	0.046	2	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1760	0.133	2	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2460	0.000	1	107.9127	0.054	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2490	0.164	2	107.2490	0.027	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1980	0.000	1	108.1980	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]FH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4360	0.000	1	108.4360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8670	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7930	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2640	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1895	0.203	2	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.6520	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8890	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1984	0.099	7	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0060	0.475	2	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9552	0.199	6	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3630	0.129	2	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2470	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9935	0.090	2	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8540	0.000	1	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2373	0.296	3	108.1970	0.217	32	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6110	0.000	1	108.6110	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]BrH)(C[6]O[6]CH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3040	0.000	1	108.3040	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3630	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7320	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9180	0.089	2	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0490	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6700	0.095	2	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4540	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4395	0.064	2	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4680	0.345	2	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5490	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5760	0.000	1	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8335	0.084	2	107.7806	0.203	18	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5530	0.000	1	109.5530	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0830	0.000	1	106.9100	0.518	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3910	0.000	1	106.9100	0.518	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2560	0.000	1	106.9100	0.518	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9064	0.092	5	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5973	0.325	3	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7298	0.306	5	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3613	1.087	7	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4658	1.164	11	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9540	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7790	0.001	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6290	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2505	2.150	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6540	1.173	6	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4720	0.844	3	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1600	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5145	0.112	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8150	0.021	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6840	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9050	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7200	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7360	0.116	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7954	0.922	16	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8396	0.156	5	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6975	0.693	77	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7785	0.069	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7395	0.216	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8685	0.050	2	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4908	0.606	4	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9627	0.183	3	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9390	1.460	3	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0672	0.505	5	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6305	0.271	13	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7350	0.000	1	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5263	1.560	32	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1519	2.449	7	107.6237	1.036	231	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2348	3.046	24	107.2348	9.277	24	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8180	0.134	2	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6732	0.060	4	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3453	0.024	3	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.6190	0.000	1	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7930	0.000	1	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3730	0.059	2	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8060	1.416	2	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3550	0.000	1	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8605	0.063	2	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9425	0.023	2	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6540	0.000	1	107.6071	0.736	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]C[6]HS)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5050	0.000	1	107.5050	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2140	0.000	1	107.2140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6310	0.000	1	107.5820	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]CH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5330	0.000	1	107.5820	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7080	0.000	1	107.7080	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8950	0.000	1	107.8937	0.045	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1060	0.000	1	107.8937	0.045	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6800	0.000	1	107.8937	0.045	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8690	0.045	2	107.8690	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0520	3.735	2	107.1413	3.006	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7020	0.000	1	107.1413	3.006	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3370	0.000	1	107.1413	3.006	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0236	1.749	28	107.1413	3.006	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|Cl<1>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5560	0.000	1	107.1413	3.006	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CC)2(H)2{1|Ir<6>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4430	0.000	1	107.1413	3.006	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7220	0.000	1	106.9436	8.812	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.1530	0.000	1	106.9436	8.812	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8310	0.088	2	106.9436	8.812	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	106.9436	8.812	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9960	3.905	5	106.9436	8.812	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.000	1	106.9436	8.812	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8220	0.102	2	107.8468	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CF)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8715	0.011	2	107.8468	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7335	0.052	2	107.8320	0.069	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9305	0.408	2	107.8320	0.069	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7150	0.000	1	107.3872	0.758	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7500	0.000	1	107.3872	0.758	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7900	0.000	1	107.3872	0.758	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1170	0.000	1	107.3872	0.758	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9890	0.000	1	107.3872	0.758	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]CO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1178	0.994	9	107.3872	0.758	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]FF)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0100	0.000	1	108.0100	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Au<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0920	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4770	0.000	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8180	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0350	2.527	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0710	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2900	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6726	1.112	10	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8556	0.150	5	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8060	0.279	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0058	0.485	25	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9475	1.090	197	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3730	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3762	0.167	9	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9325	0.197	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0762	0.064	5	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9990	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1710	0.107	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5970	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0540	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2690	0.127	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8690	0.212	5	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0529	0.527	35	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3550	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8718	1.397	11	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.132	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6778	3.251	16	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0943	0.087	3	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8640	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8660	0.103	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1030	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|F<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7220	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8376	0.694	11	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9030	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5680	0.706	8	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.079	3	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7160	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8697	0.841	34	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9543	0.199	18	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9759	0.539	47	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1195	1.348	71	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0230	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8710	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8220	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9338	0.076	4	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0014	1.235	506	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8210	0.130	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6920	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9893	0.132	3	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0470	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Fe<6>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8225	0.177	4	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9980	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4110	0.904	3	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.3160	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7029	0.757	14	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2715	0.897	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8930	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8203	0.481	12	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9580	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7620	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2164	1.600	5	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7330	0.093	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6453	0.180	6	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9666	0.118	5	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9280	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2960	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.399	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0600	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.076	3	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8277	0.193	20	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0563	0.067	3	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0450	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0956	1.174	7	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3070	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1276	2.575	14	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1610	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9830	0.223	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5430	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3975	0.015	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2880	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|F<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9285	0.084	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8516	0.954	203	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.198	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.035	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7933	0.129	31	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8388	0.160	6	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9230	0.051	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1010	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Ru<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6250	0.028	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6670	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6830	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|Sn<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4530	0.037	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7590	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{1|W<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8435	0.173	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5413	0.811	6	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6010	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8215	0.039	2	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8452	1.026	383	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9470	0.425	15	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4510	0.000	1	107.9158	1.176	1855	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HI)(H)2{2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3200	0.000	1	108.3200	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	0.000	1	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0623	0.041	3	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7290	0.000	1	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1133	0.047	3	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.154	2	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2250	0.000	1	108.0130	0.024	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9210	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7785	0.499	2	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6280	4.063	4	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4490	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8872	0.180	5	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4390	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9670	5.087	2	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9727	0.096	3	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.165	2	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0960	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.8060	7.562	2	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9660	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7303	0.148	3	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1520	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9927	0.108	3	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8260	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8370	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0215	0.129	2	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6727	0.151	3	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3470	0.188	12	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8450	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0760	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7250	0.000	1	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9034	1.253	164	107.9802	2.037	219	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8477	0.123	7	107.7916	0.016	36	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HP)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7780	0.123	29	107.7916	0.016	36	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4410	0.000	1	106.4410	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4180	0.000	1	107.6030	0.068	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7880	0.000	1	107.6030	0.068	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]NN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4000	0.000	1	107.4000	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6520	0.000	1	107.4840	0.561	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4504	0.832	5	107.4840	0.561	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3100	0.000	1	107.3100	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2182	0.986	6	108.2182	0.972	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3300	0.000	1	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7860	0.000	1	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7180	0.000	1	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6390	0.000	1	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6705	0.022	2	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1485	0.064	2	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0400	0.000	1	107.9057	0.069	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]CN)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3250	0.000	1	107.3250	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9370	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9090	0.071	2	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0172	0.648	73	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9697	0.117	3	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5220	0.723	2	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7560	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3150	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1010	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6637	0.586	6	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0344	0.084	12	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8798	0.145	16	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9537	0.202	103	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7580	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7698	0.438	17	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9093	0.147	17	107.9414	0.168	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2970	0.834	3	108.0291	0.258	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7540	0.161	3	108.0291	0.258	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0363	0.299	3	108.0291	0.258	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]CO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1830	0.165	2	108.1830	0.027	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2105	0.214	4	108.2863	0.162	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4380	0.000	1	108.2863	0.162	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1448	0.060	6	108.2863	0.162	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]O[6]HO)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0750	0.000	1	108.0750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)(C[6]S[6]HH)(H)2{1|B<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.4520	0.000	1	103.4520	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9110	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9550	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7573	0.107	6	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1965	1.133	4	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7660	0.252	2	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8550	0.140	3	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0480	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5950	0.274	2	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1820	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5023	0.788	9	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8200	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8146	0.201	7	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9395	0.771	84	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6985	0.006	2	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8090	0.145	5	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9053	0.176	3	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9630	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1470	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7528	0.312	10	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1940	0.000	1	107.8527	0.438	147	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7605	0.026	2	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.5980	0.000	1	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0390	0.000	1	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4990	2.320	5	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6208	0.535	5	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4570	0.000	1	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3470	0.000	1	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9945	0.229	4	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8585	0.121	2	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5718	4.647	12	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5888	1.477	56	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9830	0.064	2	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9560	0.017	2	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3965	1.620	10	108.1532	4.832	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]C[6]HN)(H)2{1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9760	0.000	1	107.9760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8840	0.035	2	107.9444	0.008	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	107.9444	0.008	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9300	0.038	2	107.9444	0.008	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.031	2	108.0080	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6360	0.000	1	107.6360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6785	0.053	2	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9160	0.076	3	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8936	0.754	47	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2560	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8517	0.045	3	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7360	0.138	4	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9870	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7698	1.272	4	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9680	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7690	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.174	3	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8360	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8510	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8331	0.123	9	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7460	0.006	3	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6686	0.296	5	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7351	0.722	16	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8545	0.257	2	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8818	1.191	79	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8260	0.156	3	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8147	0.062	3	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	99.6288	0.000	1	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3871	0.904	11	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.064	2	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8660	0.007	2	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8667	1.166	21	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9315	0.083	4	107.7869	1.097	236	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6940	0.000	1	107.6940	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8852	0.154	5	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.000	1	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2750	0.100	2	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5753	0.960	7	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9716	0.119	5	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8110	0.000	1	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6110	0.000	1	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7710	0.000	1	107.7356	0.306	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5800	0.000	1	107.2740	0.187	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9680	0.000	1	107.2740	0.187	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0930	0.000	1	108.0953	0.369	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4695	0.035	2	108.0953	0.369	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5995	0.719	2	108.0953	0.369	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9198	0.087	10	108.0953	0.369	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7294	1.385	5	108.7294	1.918	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3562	1.199	5	109.3562	1.437	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7333	0.839	3	108.5357	0.625	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9430	0.000	1	108.5357	0.625	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5607	0.083	3	107.5607	0.007	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5430	0.048	3	107.5430	0.002	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CO)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6015	0.045	2	107.6015	0.002	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5990	0.000	1	107.8231	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8800	0.000	1	107.8231	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8440	0.087	8	107.8231	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CP)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CP)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9130	0.000	1	106.9130	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6640	0.000	1	107.8085	0.042	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9530	0.000	1	107.8085	0.042	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CS)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4790	0.000	1	108.4790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]CC)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2080	0.000	1	107.2080	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3460	0.000	1	107.3460	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]ClF)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7200	0.000	1	107.7200	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8217	0.142	3	107.7534	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5390	0.000	1	107.7534	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7740	0.000	1	107.7534	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8020	0.000	1	107.7534	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6550	0.000	1	107.7534	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7920	0.000	1	107.7534	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1980	0.000	1	108.1525	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1070	0.000	1	108.1525	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.000	1	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	99.0547	0.000	1	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6550	0.291	2	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0225	0.100	2	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9030	0.000	1	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]C[6]HH)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3043	0.062	3	107.4286	7.033	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1910	0.000	1	108.1960	0.010	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3440	0.000	1	108.1960	0.010	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2143	0.026	7	108.1960	0.010	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.000	1	108.1960	0.010	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	108.1960	0.010	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4540	0.000	1	108.4540	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ClH)2(H)2{1|Cl<1>,1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1070	0.000	1	108.1070	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CoH)(C[6]C[6]CH)(H)2{1|H<1>,1|H<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9460	0.000	1	107.9460	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9410	0.000	1	107.9780	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CoH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0150	0.000	1	107.9780	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4540	2.606	4	106.9412	4.646	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9155	0.009	2	106.9412	4.646	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CrN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CrN)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.1852	1.165	4	105.1852	1.358	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9015	0.285	2	107.9015	0.081	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0615	0.095	2	108.3169	0.951	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4483	1.207	6	108.3169	0.951	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0390	0.000	1	108.3169	0.951	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1096	0.151	5	108.1272	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FF)(C[6]N[6]HH)(H)2{2|C<4>,2|F<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2150	0.000	1	108.1272	0.020	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2255	0.076	2	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9540	0.000	1	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6301	1.148	7	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2747	1.634	10	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2190	0.000	1	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HH)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8860	0.000	1	108.7723	1.700	23	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1410	0.000	1	108.1713	0.008	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1813	0.104	3	108.1713	0.008	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2950	0.000	1	108.0260	0.145	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7570	0.000	1	108.0260	0.145	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FH)2(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1337	0.397	13	108.1337	0.157	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FP)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6730	0.000	1	107.6730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5793	0.136	4	107.5793	0.019	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9500	0.000	1	107.9500	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9780	0.000	1	107.9780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0530	0.000	1	107.9875	0.009	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9220	0.000	1	107.9875	0.009	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3493	0.030	3	108.3493	0.001	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6930	0.383	2	107.9964	0.031	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0388	0.089	9	107.9964	0.031	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0587	0.089	3	107.9964	0.031	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0350	0.000	1	107.9964	0.031	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.7800	0.386	2	105.7800	0.149	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeH)2(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9740	0.000	1	108.9740	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeO)(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1620	0.000	1	108.1620	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]FeO)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2314	0.031	5	108.2314	0.001	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8430	0.000	1	107.8207	0.000	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]GeH)(C[6]C[6]HH)(H)2{1|Ge<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8095	0.011	2	107.8207	0.000	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2090	0.166	4	108.1334	0.035	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1610	0.000	1	108.1334	0.035	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7660	0.000	1	108.1334	0.035	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2060	0.000	1	108.1334	0.035	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.000	1	108.1334	0.035	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3050	3.547	4	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8385	0.039	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0210	0.082	3	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2380	0.209	3	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9490	0.148	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1453	0.295	6	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9903	0.220	32	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.0850	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1120	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6075	3.801	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.9570	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4383	2.304	3	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5250	0.509	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3470	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1822	0.218	5	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9377	1.285	3	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0580	0.066	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3960	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.070	4	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9260	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.468	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0331	1.012	253	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0170	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0851	1.197	525	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0118	0.726	470	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6364	1.321	50	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1750	0.052	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4603	0.900	3	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9830	0.051	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1450	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7340	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0065	0.110	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0915	0.200	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0835	0.830	2073	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1000	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8380	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3120	0.017	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	97.6990	2.519	2	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0957	0.092	7	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3800	0.081	3	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2780	0.000	1	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9680	0.060	6	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9914	0.056	5	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6031	1.193	21	108.0641	0.899	3515	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1342	0.064	6	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4425	0.063	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<2>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1850	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8975	0.013	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9110	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0285	0.090	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1400	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3197	5.217	7	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9465	0.106	4	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7079	0.916	13	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9345	0.042	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1202	0.076	4	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3373	0.631	13	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3335	0.146	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2800	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1260	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1155	2.203	6	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1670	0.605	5	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9820	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2530	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1097	0.141	3	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0140	0.044	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1530	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1192	0.207	10	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1720	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1730	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1460	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9760	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7450	0.286	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8190	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.764	3	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8566	2.647	8	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6629	0.843	10	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8467	0.655	39	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4040	0.937	7	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0699	0.068	10	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8250	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4880	1.808	142	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9777	0.152	3	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.6170	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0345	0.148	4	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8510	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2846	0.257	7	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0889	0.144	101	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9250	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1290	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.007	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1980	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0130	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4380	0.037	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2824	0.366	8	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Ir<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1205	0.134	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8515	0.040	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0335	0.035	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2150	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.028	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0770	0.250	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.8244	6.281	2	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3160	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1410	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7140	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1549	0.482	30	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1667	3.828	3	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2770	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2250	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0732	0.090	10	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9452	1.492	62	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2000	0.000	1	108.1593	1.988	580	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2850	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|B<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1440	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0125	0.022	2	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0920	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1000	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0390	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|H<1>,1|O<1>,1|W<7>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9010	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9000	0.187	2	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	86.0479	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2900	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7880	0.068	2	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.9338	4.153	4	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1149	0.820	3484	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2270	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(H)2{1|Ru<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7265	0.100	2	108.1029	0.838	3506	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6480	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7640	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9060	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9220	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1320	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8290	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.2020	2.907	3	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7530	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0350	0.006	2	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9710	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0950	0.189	8	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	113.3330	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6968	1.300	17	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1310	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2341	0.473	65	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0730	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1280	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2900	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(H)2{1|Se<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4120	0.000	1	108.2162	1.401	111	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6015	0.124	2	107.7563	0.080	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HW)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0660	0.000	1	107.7563	0.080	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]II)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1510	0.000	1	108.1510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]NN)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8890	0.154	2	107.8890	0.024	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]NO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0650	0.000	1	108.0650	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9515	0.037	2	108.0376	0.605	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8327	0.500	17	108.0376	0.605	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8655	0.013	2	108.0376	0.605	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8775	0.001	2	108.0272	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8730	0.000	1	108.0272	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]SS)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1180	0.037	5	108.0272	0.016	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6527	0.046	3	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6640	0.098	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6793	0.264	3	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Al<4>,1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6916	0.118	15	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7430	0.091	4	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6510	0.157	8	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5910	0.000	1	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5667	0.106	3	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6451	0.172	28	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6406	0.067	21	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2100	0.000	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2761	7.956	23	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8421	1.823	123	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6243	0.809	28	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6571	0.097	11	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2831	1.379	8	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7510	0.093	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0615	0.656	26	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cd<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8385	0.033	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7610	0.049	13	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Cu<2>,1|Li<7>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7975	0.064	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9140	0.000	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8353	0.104	6	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7635	0.029	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7250	0.038	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7486	0.139	13	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<4>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8645	0.054	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6890	0.010	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Li<5>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.076	6	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Mg<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7973	0.231	3	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7965	0.766	19	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Re<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5570	0.000	1	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6945	0.078	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6640	0.141	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Si<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5785	0.169	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{1|Sm<10>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7750	0.007	2	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6953	0.101	10	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5570	0.432	22	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Cu<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8102	0.096	4	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CC)(H)2{2|Mg<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7760	0.000	1	107.6254	4.657	431	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0180	0.052	3	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9445	0.228	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.061	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8050	0.120	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2087	1.675	38	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8190	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1010	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4990	0.641	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7517	0.970	6	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8730	0.091	4	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.362	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0270	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0550	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9175	0.088	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6716	0.429	11	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7140	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9466	0.580	7	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1027	0.963	25	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1580	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9980	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9250	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Li<3>,1|Zn<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0645	0.141	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Mn<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1395	0.019	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3230	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0795	0.113	4	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0375	0.104	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.7480	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7595	0.019	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7785	0.182	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0595	0.042	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|S<4>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7830	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{1|Si<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8400	0.010	2	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1023	0.174	3	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7795	0.249	11	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9125	0.094	6	108.0135	1.090	159	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0630	0.085	2	108.0630	0.007	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]CS)(H)2{1|C<3>,1|S<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0560	0.000	1	108.0560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9115	0.012	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.023	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0057	0.117	12	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0260	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0975	0.204	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Al<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1015	0.066	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0487	0.042	3	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7990	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6753	1.184	11	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|B<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3170	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5410	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0131	0.081	7	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0535	0.215	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1008	0.085	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0775	0.156	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1210	0.040	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8992	1.390	662	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|I<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1970	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3188	0.045	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3899	1.788	9	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8928	1.492	6	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2670	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0430	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1670	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0150	0.315	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4130	1.573	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6274	0.706	14	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0840	0.174	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7778	2.972	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4604	2.175	7	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0181	0.106	7	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2201	0.513	15	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8970	0.076	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6647	0.130	3	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1146	0.561	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9610	0.835	3	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0415	0.100	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4293	0.802	40	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|P<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1252	0.140	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9180	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4735	1.303	14	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,1|W<6>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0610	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3862	0.938	6	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6225	2.575	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2304	0.614	20	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9637	1.147	106	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cl<1>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.146	8	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<5>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0915	0.144	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cr<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0149	0.055	8	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0540	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0010	0.824	3	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0910	0.706	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3670	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8228	4.060	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|F<1>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1690	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Fe<7>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ga<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7615	0.766	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1327	0.146	7	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1260	0.092	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2350	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9165	0.050	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9060	0.216	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0580	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1430	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<3>,1|Li<5>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2960	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1605	2.239	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Li<6>,1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9225	0.066	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0315	0.103	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0330	0.044	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mg<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9986	0.054	7	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0270	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<10>,1|B<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1420	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0015	0.059	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1190	0.061	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3930	0.222	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1064	0.082	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8650	0.106	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9310	0.122	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Os<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	86.4238	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9980	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9885	0.106	4	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0347	0.140	12	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0261	0.091	16	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Pt<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0900	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9466	0.141	5	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0485	0.016	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Rh<8>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0680	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0840	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Ti<7>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5250	0.000	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0370	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9640	0.024	3	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8470	1.195	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9780	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{1|Zn<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0575	0.026	2	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|Al<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0693	0.065	3	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4130	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6560	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2889	1.108	186	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7807	1.081	122	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0682	0.393	39	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9840	0.000	1	107.9963	1.760	1509	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HN)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9585	0.091	2	107.9585	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9455	0.054	2	108.5930	1.359	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|C<3>,1|N<2>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3350	0.000	1	108.5930	1.359	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]HO)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1460	0.000	1	108.5930	1.359	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]N[6]OU)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]OU)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8490	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7950	0.000	1	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8290	0.124	2	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|C<4>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9945	0.131	2	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7550	0.000	1	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7660	0.000	1	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5883	0.093	3	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CC)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9340	0.000	1	107.7875	0.028	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0078	0.224	6	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1280	0.000	1	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9960	0.000	1	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2710	0.000	1	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1010	0.000	1	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1196	0.104	5	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0765	0.098	2	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0807	0.015	3	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1112	0.516	55	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0344	0.082	7	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5630	0.000	1	108.1132	0.205	84	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.070	4	107.8910	0.005	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0586	2.022	5	107.2627	3.521	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]CO)(H)2{1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2830	0.000	1	107.2627	3.521	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0895	0.159	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.124	4	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1720	0.000	1	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1350	0.085	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3750	0.000	1	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1385	0.165	4	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.055	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4020	0.000	1	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8921	2.588	8	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2430	0.000	1	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1405	0.001	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8925	0.957	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1230	0.038	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2586	0.273	5	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0762	0.558	62	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Ca<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0927	0.111	24	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2265	0.036	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1300	0.074	3	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9690	0.000	1	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Li<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4949	4.100	16	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Mo<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0528	0.046	10	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2140	0.000	1	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{1|Se<2>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0680	0.013	2	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1967	0.061	3	108.2898	2.199	161	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1230	0.000	1	108.1230	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.000	1	107.5411	1.618	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5101	1.314	14	107.5411	1.618	15	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]HS)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0040	0.177	4	108.0040	0.031	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4758	0.129	4	107.6743	0.404	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CC)(H)2{1|C<3>,1|P<4>,1|S<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0715	1.224	2	107.6743	0.404	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]CH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6570	0.000	1	107.6570	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8810	0.177	3	107.8352	0.015	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]P[6]HH)(H)2{1|Pt<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7893	0.025	3	107.8352	0.015	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{1|C<3>,1|N<2>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6800	0.000	1	107.7000	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7200	0.000	1	107.7000	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7200	0.000	1	107.7260	0.003	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6610	0.000	1	107.7260	0.003	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7615	0.029	2	107.7260	0.003	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<2>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4700	0.000	1	107.5368	0.368	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7775	0.078	2	107.5368	0.368	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9710	0.000	1	107.5368	0.368	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]S[6]HH)(H)2{1|C<4>,3|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6880	0.000	1	107.5368	0.368	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Al<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8970	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|As<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0330	0.068	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Au<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0420	0.042	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1157	1.759	6	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0059	0.077	30	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0560	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0840	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9595	0.036	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9998	0.126	34	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<5>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8290	0.078	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|B<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<3>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9460	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9480	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3048	0.699	10	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Br<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2580	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9995	0.303	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0400	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0277	0.041	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4505	0.009	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.9060	0.945	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6680	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6450	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6790	0.518	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9702	0.067	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1060	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2453	0.515	15	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9673	0.183	7	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3340	0.709	7	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9020	0.038	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7631	1.926	11	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2360	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1400	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|C<6>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0347	0.040	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0350	0.037	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9880	0.143	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9786	0.145	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1052	0.051	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8920	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7432	1.846	39	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7727	3.052	19	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1320	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5791	1.660	13	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9695	0.558	56	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,1|O<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9935	0.099	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5849	2.033	95	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0334	1.076	420	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|F<1>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9690	0.151	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0188	0.265	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2140	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4615	1.266	6	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0120	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.1230	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2890	1.346	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8060	0.970	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8890	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8810	0.000	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7356	1.015	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6480	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1076	3.999	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9384	0.579	48	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	86.4704	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1041	0.170	15	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2071	1.054	12	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2678	0.581	17	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3300	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1010	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1355	0.046	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.251	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1898	0.162	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9800	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0842	0.141	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	102.9096	3.909	5	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7160	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4235	1.499	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0070	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8721	0.550	46	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9752	4.279	5	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1273	0.191	12	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6876	0.955	37	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1487	0.143	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2272	1.372	59	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|C<5>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0260	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7638	0.457	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0605	0.145	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6628	2.820	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|I<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1149	0.657	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0480	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2425	0.114	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9310	0.164	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1756	0.107	5	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.147	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1805	0.046	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|I<1>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0205	0.018	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9454	1.752	55	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9586	0.585	450	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2520	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9996	0.833	10	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4996	2.571	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0269	1.147	2341	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9640	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0164	0.908	909	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0519	1.255	89	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1070	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0575	0.863	271	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0143	0.081	16	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|O<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0087	0.129	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9491	0.064	7	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9297	1.227	268	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9107	0.253	13	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0880	0.856	3076	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|P<5>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9669	0.115	45	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1852	0.642	21	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9232	1.147	53	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9755	0.091	21	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,1|W<7>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5920	0.117	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9830	0.055	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9911	0.328	97	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0415	3.774	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0152	0.115	12	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9804	0.422	24	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	97.3489	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|H<1>,2|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9870	0.180	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2180	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4221	3.077	10	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	1.068	4277	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,1|N<4>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3090	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9493	0.086	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<5>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1128	0.111	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|C<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.112	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8550	0.143	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ce<16>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9433	0.127	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8777	0.488	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.9030	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cl<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Co<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9865	0.228	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0520	2.289	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4802	1.122	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cr<8>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0075	0.139	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Cu<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9915	0.374	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1460	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0800	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|F<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5390	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ge<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1360	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9600	0.011	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0750	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2070	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|N<4>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0305	0.005	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2270	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7719	1.316	24	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1050	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2250	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2982	1.504	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8670	0.170	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Hf<8>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0520	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ir<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0180	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Li<5>,1|C<3>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9475	0.241	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Mo<7>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6200	0.202	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Mo<8>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4955	2.092	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0745	0.255	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1870	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.006	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1970	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4620	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7861	0.613	14	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1155	0.057	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1466	0.118	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9820	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4183	1.694	24	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6355	1.296	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0771	0.578	11	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.096	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1946	0.804	120	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1809	0.770	465	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4097	1.673	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9932	0.692	13	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0992	0.635	103	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|N<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2310	1.006	208	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<4>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0245	0.093	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9850	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<5>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3730	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<6>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8957	0.019	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ni<9>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1230	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,1|P<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0050	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4843	0.953	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9527	0.119	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0983	0.101	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9840	0.071	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1607	0.914	103	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0800	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1105	0.066	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9160	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9567	0.405	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|O<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4344	1.607	20	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7005	0.025	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8180	0.048	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0217	0.114	6	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7525	0.069	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|P<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7910	0.152	5	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pd<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0210	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pt<4>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9120	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Pt<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9165	0.013	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Rh<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5920	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1795	0.114	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ru<6>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0280	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0144	0.085	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8000	0.055	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<2>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9505	0.045	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Se<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6920	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0861	0.475	20	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2020	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5610	0.068	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0143	0.080	8	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Si<6>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9640	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9657	0.192	46	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5080	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Sn<5>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9312	0.129	9	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ta<12>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1650	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ti<10>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0360	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Ti<13>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1350	0.027	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<11>,1|N<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2070	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<17>,1|C<5>,1|H<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8920	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|U<18>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3255	0.062	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|W<10>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<12>,1|C<5>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9463	0.028	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|H<2>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9650	0.106	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<13>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0320	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{1|Zr<14>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7735	0.039	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4230	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	1.204	50	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.018	4	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2707	0.583	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2600	0.175	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9884	0.866	586	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2870	0.000	1	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4886	1.052	5	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	1.318	104	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|Li<5>,2|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0302	0.070	6	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4516	0.497	11	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{2|Ru<8>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.7660	4.166	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1121	0.587	62	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{3|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.1997	3.334	3	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1495	0.002	2	108.0373	1.088	15537	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HI)(C[6]N[6]CH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8180	0.000	1	109.8180	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HI)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3150	0.000	1	106.3150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6710	1.631	2	107.9627	0.721	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6855	0.006	2	107.9627	0.721	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8178	0.124	6	107.9627	0.721	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(H)2{1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9700	0.000	1	107.9627	0.721	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8035	2.040	87	107.7842	3.497	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7945	0.081	2	107.7842	3.497	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8227	0.088	4	107.7842	3.497	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5986	0.475	9	107.7842	3.497	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]CC)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6945	0.047	2	107.7842	3.497	104	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1127	0.066	3	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0512	0.146	16	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9450	0.000	1	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9480	0.000	1	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1923	0.040	3	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1606	0.179	17	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0265	0.094	4	108.0770	0.053	45	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1395	0.169	4	108.1395	0.029	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0392	0.366	10	108.0392	0.134	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|N<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.215	5	108.0079	0.113	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1053	0.404	6	108.0079	0.113	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]P[6]FH)(H)2{1|O<2>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5410	0.000	2	107.5410	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8870	0.000	1	107.8647	0.002	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8535	0.062	2	107.8647	0.002	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4700	0.000	2	107.6754	2.553	151	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0857	0.139	7	107.6754	2.553	151	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HN)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6299	1.631	142	107.6754	2.553	151	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]C[6]HS)(H)2{1|C<3>,1|N<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3750	0.000	1	108.3750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<3>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7750	0.000	1	108.0411	0.747	88	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1078	0.935	73	108.0411	0.747	88	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7600	0.000	1	108.0411	0.747	88	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6918	0.064	5	108.0411	0.747	88	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7186	0.081	8	108.0411	0.747	88	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5894	0.165	5	107.8508	0.064	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9900	0.000	1	107.8508	0.064	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9840	0.075	2	107.8508	0.064	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0280	0.000	1	107.8508	0.064	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.000	1	107.8508	0.064	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1047	0.118	3	107.8508	0.064	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|F<1>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0065	0.015	2	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9353	0.039	3	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3831	6.725	19	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8720	0.000	1	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7145	0.288	2	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0910	0.045	4	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0591	0.113	10	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2635	0.129	2	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.8520	0.000	1	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7670	0.158	2	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9195	0.012	2	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7901	1.416	13	107.9078	14.423	61	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0616	0.059	7	108.1277	0.412	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.000	1	108.1277	0.412	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4987	0.849	6	108.1277	0.412	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9849	0.729	13	108.1277	0.412	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1380	0.000	1	108.1277	0.412	28	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]CO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8120	0.000	1	107.8120	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0160	2.084	3	107.3278	3.283	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2630	0.000	1	107.3278	3.283	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.8880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9373	0.240	4	107.9798	0.052	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(H)2{1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.000	1	107.9798	0.052	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	107.7060	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|Br<1>,1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2720	0.000	1	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|H<1>,1|I<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2590	0.000	1	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0910	0.000	1	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7580	0.939	2	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,1|O<2>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4320	0.000	1	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9625	0.130	8	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7265	0.251	17	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8400	0.000	1	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HO)2(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5480	0.820	3	107.8887	0.403	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)(C[6]O[6]CC)(H)2{1|B<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9320	0.092	2	107.9320	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HP)2(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6173	2.360	3	106.6173	5.571	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]C[6]NN)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6880	0.000	1	108.6880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3165	0.050	2	108.3165	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HS)(C[6]S[6]HH)(H)2{1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0880	0.000	1	108.0880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HfN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8370	0.000	1	107.8370	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1810	0.092	2	108.0320	0.071	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7340	0.000	1	108.0320	0.071	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]LiN)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0480	0.000	1	108.0480	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]MoH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9166	0.166	5	107.9166	0.028	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]MoO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]MoO)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6165	3.051	2	105.6165	9.310	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0830	0.000	1	107.9774	0.025	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7130	0.000	1	107.9774	0.025	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{1|Nb<5>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8500	0.000	1	107.9774	0.025	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0490	0.099	4	107.9774	0.025	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1238	0.073	5	108.0349	0.017	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0595	0.099	15	108.0349	0.017	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9248	0.136	5	108.0349	0.017	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9735	0.112	2	108.0349	0.017	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0301	0.158	21	108.0349	0.017	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[4]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0250	0.061	4	108.0349	0.017	52	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2140	1.893	4	106.9758	5.590	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0230	0.000	1	106.9758	5.590	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]F)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.0520	3.223	4	111.0520	10.388	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[3,6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9240	0.000	1	108.9240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[5,6]HI)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8732	0.253	5	107.8732	0.064	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7550	0.000	1	107.8653	0.148	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2300	0.000	1	107.8653	0.148	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7380	0.515	2	107.8653	0.148	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6335	0.124	20	107.6412	0.016	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7950	0.000	1	107.6412	0.016	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0715	0.074	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8720	0.000	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2185	0.094	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1950	0.000	1	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Br<1>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0730	0.000	1	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1955	0.145	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3165	0.085	4	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1789	0.199	7	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5270	0.066	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|P<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1319	0.167	10	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0367	0.072	4	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9993	0.349	38	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1870	0.000	1	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1154	0.121	5	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1798	0.184	10	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0205	0.056	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2024	1.132	207	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1213	1.976	4	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2385	0.091	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1980	0.092	6	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3270	0.030	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Ru<6>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6220	0.000	1	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0015	0.015	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1933	0.089	8	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.202	2	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0454	0.118	14	108.1590	0.862	341	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HN)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1880	0.000	1	108.1880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0690	0.000	1	108.1813	0.015	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3090	0.000	1	108.1813	0.015	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1660	0.000	1	108.1813	0.015	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6490	0.000	1	107.6490	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2780	0.000	1	108.2780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6,6]HH)(H)2{1|Ru<5>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0760	0.000	1	108.0760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<3>,1|C<2>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0930	0.092	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0380	0.023	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9840	0.128	3	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9695	0.023	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2410	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1160	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7035	0.015	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8924	0.604	9	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9365	0.056	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1229	0.298	20	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0250	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2178	0.124	33	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1900	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0573	0.118	7	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<4>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8303	0.058	3	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|In<5>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9390	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8700	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1558	0.214	5	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.093	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0785	0.112	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6025	0.091	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9571	3.237	7	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3050	0.140	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4930	0.028	2	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4920	0.000	1	108.2405	0.870	114	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6,6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8925	0.080	2	107.8925	0.006	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2620	0.000	1	108.0656	0.015	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	108.0656	0.015	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]N[6]HH)(H)2{1|In<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0267	0.078	3	108.0656	0.015	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CO)(H)2{1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0290	0.000	1	108.0290	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]NiC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6560	0.082	2	107.6560	0.007	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2271	0.755	8	108.1744	0.524	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7530	0.000	1	108.1744	0.524	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.2140	0.000	1	109.0727	3.439	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]NiO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.020	2	109.0727	3.439	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.173	2	108.4730	0.874	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5430	0.000	1	108.4730	0.874	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2320	1.282	4	108.2320	1.644	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]OO)(C[6]S[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8095	0.076	2	107.8095	0.006	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0385	0.069	2	108.0385	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]CO)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.000	1	107.7370	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]O[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.8880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[3]H)(C[6]C[6]HH)(H)2{3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1173	0.064	3	108.1173	0.004	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6730	3.504	6	108.0365	8.397	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0798	0.326	8	108.0365	8.397	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0744	2.707	5	108.0365	8.397	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.1192	4.463	5	108.0365	8.397	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{1|Cr<6>,1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.4180	2.611	2	108.0365	8.397	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[4]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1927	0.073	3	108.0365	8.397	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]CH)(H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8760	0.000	1	107.8760	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<2>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9815	0.062	2	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|As<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9727	0.073	3	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4644	1.148	15	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2370	0.139	2	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|P<3>,1|P<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0864	0.124	7	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9664	0.107	8	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|C<4>,2|P<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1235	0.033	4	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|F<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9060	0.000	1	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2380	0.000	1	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0680	0.006	2	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1593	0.037	4	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{1|Rh<5>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9740	0.000	1	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1268	0.050	4	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[5]H)(C[6]C[6]HH)(H)2{2|C<4>,2|P<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0445	0.011	2	108.4400	0.736	56	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|B<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7603	0.048	3	107.7837	0.025	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5560	0.000	1	107.7837	0.025	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]CH)(H)2{1|Pd<4>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9325	0.152	2	107.7837	0.025	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|B<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0444	0.023	5	108.1352	0.010	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1535	0.136	2	108.1352	0.010	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{1|Pt<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2475	0.060	2	108.1352	0.010	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{2|In<4>,2|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1303	0.054	4	108.1352	0.010	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]P[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2063	0.130	3	108.1352	0.010	16	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	116.9850	0.000	1	111.0903	26.066	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1430	0.107	2	111.0903	26.066	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]PdH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PdH)(C[6]C[6]HP)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3230	0.000	1	108.3230	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PtC)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5530	0.000	1	107.5530	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PtH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8590	0.000	1	107.8590	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.000	1	108.0020	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RhH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RhH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8015	0.028	2	107.8015	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]Ru2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1685	1.842	2	109.1685	3.393	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuC)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuC)(C[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4710	0.000	1	109.4710	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuC)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2920	0.000	1	108.2920	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.091	2	107.9576	0.043	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6900	0.076	2	107.9576	0.043	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1268	0.075	5	107.9576	0.043	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.000	1	107.9576	0.043	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]RuH)(C[6]C[6]HP)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2225	0.164	8	108.2225	0.027	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SS)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2310	0.000	1	107.2310	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	108.0025	0.005	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0035	0.114	2	108.0025	0.005	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SeH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.000	1	108.0025	0.005	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiC)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4850	0.000	1	107.4850	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7000	0.000	1	108.0943	0.441	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7220	0.000	1	108.0943	0.441	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8610	0.000	1	108.0943	0.441	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3270	0.000	1	107.9066	0.758	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.000	1	107.9066	0.758	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9581	0.865	32	107.9066	0.758	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8040	0.000	1	107.9066	0.758	35	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9190	0.955	3	108.9190	0.911	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5220	0.000	1	107.8597	0.069	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]SnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8675	0.261	43	107.8597	0.069	44	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ZrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrC)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.8880	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9135	0.060	2	107.9135	0.004	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	107.8240	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8520	0.000	1	107.7115	0.098	102	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7514	0.138	8	107.7115	0.098	102	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7292	0.057	45	107.7115	0.098	102	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6854	0.451	48	107.7115	0.098	102	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|S<4>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.000	1	107.9380	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6a]CH)(H)2{6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1070	0.000	1	108.1070	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6940	0.187	2	107.6940	0.035	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1445	0.033	2	107.8584	0.035	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7921	0.148	11	107.8584	0.035	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)(H)2{4|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.000	1	107.8584	0.035	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6320	0.000	1	107.7850	0.047	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|H<1>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9380	0.000	1	107.7850	0.047	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]BrC)(H)2{1|Br<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5690	0.000	1	107.5690	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3170	0.000	1	107.3170	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6660	0.000	1	107.6660	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5380	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7740	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7920	0.187	5	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7379	0.179	22	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2390	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1015	0.029	2	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0310	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8820	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8730	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6736	0.115	9	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4630	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9180	0.000	1	107.7647	0.038	46	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4840	0.000	2	107.4840	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[5a,6]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5560	0.000	1	107.5560	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8400	0.000	1	107.8400	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7070	0.000	1	108.3730	0.619	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0600	0.000	1	108.3730	0.619	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8625	0.914	2	108.3730	0.619	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]C)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7390	0.000	2	107.7390	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0115	0.050	2	108.0115	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8740	0.000	1	108.0665	0.074	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]F)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2590	0.000	1	108.0665	0.074	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8975	0.036	2	107.8975	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0350	0.000	1	108.0350	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9510	0.033	2	106.8243	3.702	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1580	0.000	1	106.8243	3.702	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6335	2.202	4	106.8243	3.702	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0000	0.000	1	106.8243	3.702	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	107.9360	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CO)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0690	0.000	1	108.0690	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]BrH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1180	0.000	1	108.1180	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5280	0.000	1	107.5435	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CC)(H)2{1|H<1>,1|N<3>,2|C<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5590	0.000	1	107.5435	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7960	0.000	1	107.7960	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9265	0.110	4	107.9658	0.017	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1230	0.000	1	107.9658	0.017	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8010	0.063	3	107.8010	0.004	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2140	0.000	1	107.9969	0.124	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9280	0.232	2	107.9969	0.124	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|O<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2065	0.083	2	107.9969	0.124	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7475	0.646	2	107.9969	0.124	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	107.9810	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	107.8895	0.009	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9550	0.000	1	107.8895	0.009	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2O)(H)2{1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0150	0.000	1	108.0150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrC)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8780	0.000	1	107.8780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]BrH)(H)2{1|Cl<1>,1|H<1>,1|S<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5790	0.000	1	107.5790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0380	0.109	2	108.0073	0.009	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9460	0.000	1	108.0073	0.009	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7620	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9585	0.078	2	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8240	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9720	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7190	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6970	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8420	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7290	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7360	0.000	1	107.8198	0.012	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5720	0.000	1	107.5720	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0030	0.000	1	108.0030	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FeH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]FeH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0125	0.142	2	108.0125	0.020	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1860	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0147	0.060	7	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4969	0.635	14	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1675	0.023	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.174	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8215	0.052	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0495	0.156	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0247	0.160	6	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2730	0.629	20	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9759	0.095	90	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0185	0.104	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.4695	1.698	20	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9520	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2385	0.045	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0135	0.192	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7987	0.064	4	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1640	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9170	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9920	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3550	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9172	0.037	4	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6310	0.106	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8490	0.000	1	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4878	1.784	17	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9273	0.117	4	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6320	0.496	2	107.8512	0.821	212	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8175	0.088	2	107.9388	0.083	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2680	0.000	1	107.9388	0.083	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5150	0.000	1	107.9388	0.083	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.000	1	107.9388	0.083	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2400	0.000	1	107.9388	0.083	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9420	0.000	1	107.9420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]OO)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0640	0.000	1	108.0640	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8643	0.074	3	107.9091	0.008	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9150	0.138	4	107.9091	0.008	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9330	0.000	1	107.9091	0.008	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9284	0.084	5	107.9091	0.008	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(H)2{2|H<1>,6|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8990	0.000	1	107.9091	0.008	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6400	0.000	1	107.6350	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6300	0.000	1	107.6350	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]C)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8750	0.000	1	107.8750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0075	0.076	2	108.1600	0.096	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1037	0.050	3	108.1600	0.096	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4460	0.655	2	108.1600	0.096	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0620	0.000	1	108.1600	0.096	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9337	0.109	3	107.9337	0.012	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8850	0.048	4	107.8850	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5a]O[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2810	0.000	1	108.2810	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6a]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0810	0.081	2	108.0810	0.006	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7500	0.000	1	107.6128	0.359	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6670	0.000	1	107.6128	0.359	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0170	0.058	2	107.6128	0.359	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9010	0.048	2	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9707	0.057	3	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0185	0.005	2	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.000	1	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0823	0.160	3	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8300	0.018	2	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8910	0.000	1	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0360	0.000	1	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7250	0.000	1	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0913	0.040	8	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9751	0.118	11	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6730	0.263	2	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4620	0.000	1	108.0958	0.176	38	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8770	0.000	1	107.6817	0.118	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2850	0.000	1	107.6817	0.118	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]HO)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8830	0.000	1	107.6817	0.118	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.000	1	108.1350	0.025	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0465	0.168	2	108.1350	0.025	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3100	0.000	1	108.1350	0.025	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0690	0.281	2	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0240	0.098	3	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3615	0.100	2	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	104.1190	0.000	2	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0050	0.000	1	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1040	0.000	1	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CO)(H)2{1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0950	0.000	2	107.4977	2.271	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1725	0.088	2	108.0119	0.058	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9545	0.316	6	108.0119	0.058	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0197	0.044	3	108.0119	0.058	11	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0765	0.083	2	108.1065	0.007	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2050	0.000	1	108.1065	0.007	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0680	0.000	1	108.1065	0.007	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.9028	0.206	6	106.2150	0.718	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]H)2(H)2{4|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0880	0.000	1	106.2150	0.718	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5870	0.000	1	108.2152	2.395	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2976	1.679	11	108.2152	2.395	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9360	0.000	1	108.2152	2.395	13	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N)(C[6]C[6]HO)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7127	0.128	3	107.7127	0.016	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]N[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9530	0.000	1	107.9530	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]HH)(H)2{1|Ni<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.0180	0.938	2	103.0180	0.879	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3910	2.865	2	109.5730	6.112	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9370	0.000	1	109.5730	6.112	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CC)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1540	2.195	2	106.1540	4.817	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5230	0.000	1	108.8865	3.718	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]CO)(H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.2500	0.000	1	108.8865	3.718	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8885	0.022	2	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8712	0.096	5	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0585	0.032	2	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8040	0.037	2	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0833	2.223	3	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8636	0.102	8	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1717	0.713	9	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.5170	0.000	1	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8160	1.540	4	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(H)2{3|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8960	0.000	1	107.8984	0.910	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6a]O[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9670	0.000	1	107.9670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0160	0.000	1	107.9598	0.173	58	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5300	2.076	2	107.9598	0.173	58	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9693	0.065	9	107.9598	0.173	58	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9582	0.069	5	107.9598	0.173	58	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8994	0.115	5	107.9598	0.173	58	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8773	0.089	36	107.9598	0.173	58	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1190	0.000	1	108.1190	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]O)(C[6]O[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1250	0.000	1	108.1250	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0590	0.000	2	107.9441	0.029	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0210	0.011	2	107.9441	0.029	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]C[6]S)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8482	0.207	4	107.9441	0.029	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7740	0.000	1	107.9755	0.081	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1770	0.000	1	107.9755	0.081	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3890	0.000	1	107.6850	0.175	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9810	0.000	1	107.6850	0.175	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4005	0.052	2	108.3710	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3415	0.078	2	108.3710	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]C)(C[6]S[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7750	0.181	2	107.7750	0.033	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5690	0.000	1	107.5690	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[5a,6]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7580	0.000	1	107.7580	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7860	0.000	1	107.7860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CC)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7800	0.120	2	107.7800	0.014	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8035	0.050	2	107.8863	0.022	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0520	0.000	1	107.8863	0.022	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)2{1|S<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9770	0.000	1	107.9770	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HN)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1710	0.000	1	108.1710	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4560	0.000	1	108.6730	1.226	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HO)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8900	0.000	1	108.6730	1.226	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HS)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7330	0.000	1	107.7330	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]BrH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1670	0.000	1	108.1670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CC)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8365	0.053	2	107.8365	0.003	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5005	0.001	2	107.7798	0.098	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8340	0.390	4	107.7798	0.098	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9505	0.052	2	107.7798	0.098	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9160	0.000	1	107.9133	0.007	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9970	0.000	1	107.9133	0.007	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	107.9133	0.007	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9800	0.041	2	107.8487	0.053	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]FH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5860	0.000	1	107.8487	0.053	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1950	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7753	0.021	3	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0148	0.081	4	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3330	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7910	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0630	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0670	0.204	4	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0020	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0780	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3570	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{1|S<4>,2|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8580	0.021	2	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9734	0.039	5	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.0970	0.000	1	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)2{3|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6395	0.258	2	107.8842	0.325	29	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HN)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7985	0.129	4	107.7985	0.017	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6260	0.007	2	107.6260	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7940	0.000	1	107.7940	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]OO)(H)2{1|Cu<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8935	0.103	4	107.8935	0.011	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]N[6]O)(H)2{2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.9190	0.000	1	109.9190	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]O[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.000	1	108.1700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]S[6]H)(H)2{1|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9623	0.190	3	107.9623	0.036	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CC)(H)2{1|C<4>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2080	0.000	1	108.2080	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CH)(H)2{1|S<4>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7860	0.000	1	107.7860	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]CO)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2100	0.000	1	108.2100	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CC)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8492	0.694	4	107.8492	0.482	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,1|S<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8120	0.000	1	107.9585	0.043	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1050	0.000	1	107.9585	0.043	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)(C[6]O[6]HO)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3440	0.141	2	108.3440	0.020	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]N[6]H)2(H)2{1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7580	0.000	1	107.7580	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CC)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2670	0.000	1	107.2670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1810	0.000	1	108.1810	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1780	0.000	1	108.1780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]C)(C[6]O[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2150	0.000	1	108.2150	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9633	0.130	6	107.9633	0.017	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]CN)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	103.7900	0.000	1	103.7900	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6]HH)(H)2{1|Cr<9>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1045	0.138	2	108.1045	0.019	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8075	0.069	2	107.8075	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9630	0.000	1	107.9630	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HO)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1780	0.000	1	108.1780	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5390	0.000	1	107.5390	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9990	0.000	1	107.9990	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7045	0.141	2	107.9854	0.069	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1023	0.244	3	107.9854	0.069	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]CN)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0910	0.231	2	107.9854	0.069	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]ClH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2610	0.000	1	108.2610	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2470	0.065	2	108.1641	0.033	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1910	0.000	1	108.1641	0.033	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0010	0.094	3	108.1641	0.033	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5050	0.000	1	108.1641	0.033	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1200	0.000	1	108.1641	0.033	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2560	0.000	1	108.0927	0.042	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1590	0.000	1	108.0927	0.042	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HN)(H)2{1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8630	0.000	1	108.0927	0.042	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.000	1	108.9808	4.959	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2697	2.634	3	108.9808	4.959	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]CH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2420	0.000	1	108.2420	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]CC)(H)2{1|P<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6510	0.000	1	107.6510	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]H)2(H)2{1|P<4>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8287	0.111	3	107.8287	0.012	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[5,6]CO)(H)2{1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8670	0.000	1	107.8670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7490	0.000	1	107.7490	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6a]HO)(H)2{4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9075	0.302	2	107.9075	0.091	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]CO)(H)2{1|H<1>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6080	0.000	1	107.6080	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.1070	0.167	3	106.1070	0.028	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]S[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8060	0.000	1	107.8060	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6a]Se[6]H)(C[6]N[6]CO)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6745	0.070	2	107.6745	0.005	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[3,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5607	0.046	4	107.5607	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[3x6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0220	0.000	2	108.0220	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,5]C[6]H)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0915	0.398	2	110.0915	0.158	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4140	0.000	1	109.4140	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8030	0.000	1	107.8030	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0397	0.098	3	107.9674	0.018	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9783	0.140	6	107.9674	0.018	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8183	0.105	3	107.9674	0.018	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0150	0.000	1	107.9674	0.018	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]C[6]HH)(H)2{2|Ga<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0850	0.000	1	107.9674	0.018	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6,6]HH)(H)2{1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7985	0.950	2	108.7985	0.902	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Ga<5>,1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5850	0.000	1	107.7115	0.032	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]N[6]HH)(H)2{1|Nb<10>,1|Si<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8380	0.000	1	107.7115	0.032	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9480	0.000	1	107.9480	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[4a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0980	0.000	1	108.0980	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3510	1.370	3	108.8702	1.809	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]CH)(C[6]C[3x6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3893	1.397	3	108.8702	1.809	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3130	0.000	1	108.3130	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)(C[6]N[6,6]HH)(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1930	0.133	2	108.1930	0.018	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6,6]HH)2(H)2{5|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1975	0.105	2	108.1975	0.011	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CC)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4565	0.159	2	107.4565	0.025	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]ClC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.3470	0.000	1	109.3470	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|I<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8115	0.022	2	107.8237	0.536	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1370	0.000	1	107.8237	0.536	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6445	0.955	10	107.8237	0.536	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8208	0.052	4	107.8237	0.536	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5185	0.745	2	107.8237	0.536	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9490	0.000	1	107.8237	0.536	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]C[6]HN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6600	0.000	1	107.6600	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]CH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9730	0.000	1	107.9730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{1|Fe<10>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4280	0.093	2	107.4280	0.009	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6]H)(C[6]C[6]HO)(H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9560	0.000	2	107.9560	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9130	0.000	1	107.9130	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[5,6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8778	0.071	5	107.8778	0.005	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6,6a]HH)(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6395	0.032	2	107.6395	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(H)2{1|Si<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8755	0.087	2	107.8755	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8130	0.000	1	107.8130	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8615	0.190	2	107.8615	0.036	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]C[6a]H)(C[6]N[6]CH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7730	0.000	1	107.7730	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8880	0.000	1	107.8274	0.012	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7850	0.130	3	107.8274	0.012	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8940	0.000	1	107.8274	0.012	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9870	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.7060	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9040	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5738	1.005	4	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2110	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0040	0.049	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9540	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9628	0.244	12	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0955	0.069	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2350	0.017	3	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0170	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0438	0.159	4	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0595	0.030	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9860	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|Ga<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9340	0.119	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9535	0.045	4	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7720	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2040	0.223	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8460	0.000	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0510	0.000	1	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0158	0.081	19	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8325	0.045	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9865	0.033	2	108.1459	0.437	71	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.1310	0.000	1	112.1310	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6,6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2610	0.060	3	108.2610	0.004	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3830	0.000	1	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0920	0.000	1	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2020	0.000	1	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1435	0.064	2	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0870	0.133	3	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0630	0.000	1	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{1|Sb<5>,1|C<3>,1|P<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8520	0.000	1	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0680	0.098	2	108.1897	0.569	12	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0630	0.000	1	108.0630	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3230	1.813	4	107.8010	3.253	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9590	0.000	1	107.8010	3.253	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6780	2.680	2	107.8010	3.253	7	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7630	0.000	1	107.7630	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|As<3>,1|C<3>,1|P<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8530	0.000	1	107.9696	0.004	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0390	0.068	2	107.9696	0.004	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5,6]HH)2(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9652	0.020	5	107.9696	0.004	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]CO)(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.3700	0.000	1	106.3700	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]2)(C[6]O[6]HO)(H)2{1|N<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1500	0.000	1	108.1500	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]C[6a]H)(C[6]C[6a]N[6]H)(H)2{1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6800	0.000	1	107.6800	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8470	0.000	1	107.8470	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8310	1.027	2	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0783	0.064	3	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6360	0.942	2	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2070	0.143	2	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1100	0.057	2	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2495	0.019	2	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9023	1.219	4	108.3477	0.547	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0750	0.000	1	107.9613	0.011	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9490	0.000	1	107.9613	0.011	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{1|Co<5>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.000	1	107.9613	0.011	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8280	0.000	1	107.9613	0.011	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0460	0.091	2	108.0460	0.008	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6]HH)(H)2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.038	2	108.1140	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6,6a]HH)(H)2{1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4220	0.000	1	108.4220	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2715	0.821	13	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4260	0.000	1	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1400	0.000	1	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1105	0.180	4	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1920	0.000	1	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0570	0.049	2	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0799	0.162	11	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0440	0.000	1	108.1696	0.266	34	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0575	0.196	2	108.0516	0.011	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0501	0.091	8	108.0516	0.011	10	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]N)(C[6]C[6]HH)(H)2{1|C<4>,2|N<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0930	0.000	1	108.0930	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[5]C[6]H)(H)2{1|Fe<10>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6370	0.000	1	107.6370	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4557	0.053	3	108.4500	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4330	0.000	1	108.4500	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7207	0.624	3	108.7207	0.389	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[5a]O[6]H)(C[6]C[6]N[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9670	0.000	1	107.9670	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9910	0.000	1	108.9910	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,1|C<5>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5040	0.000	1	107.8165	0.195	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CC)(C[6]N[6,6]CH)(H)2{1|Cu<6>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1290	0.000	1	107.8165	0.195	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.3790	0.000	1	110.3790	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8100	0.000	1	108.2053	1.780	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0960	0.000	1	108.2053	1.780	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.5760	0.000	1	108.2053	1.780	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4480	0.499	3	108.2053	1.780	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9080	0.260	2	108.2053	1.780	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4250	0.000	1	107.5178	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5610	0.000	2	107.5178	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]CH)(C[6]C[6]HO)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5240	0.000	1	107.5178	0.004	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6]H)(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0085	0.012	2	108.0085	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6,6]ClH)(H)2{1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2483	0.242	3	108.2483	0.059	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9680	0.000	1	107.9680	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8090	0.000	1	107.8090	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9930	0.000	1	107.8975	0.018	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8020	0.000	1	107.8975	0.018	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0940	0.192	3	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|B<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1450	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0890	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<2>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.6090	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9907	0.060	3	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1941	0.537	27	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0935	0.049	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1640	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0830	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.0730	0.704	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9990	0.037	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cr<9>,1|B<4>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9695	0.083	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6540	0.862	6	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4340	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9505	0.032	6	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Hg<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8300	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Li<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0837	0.140	10	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|N<3>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1780	1.950	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Ni<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0300	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0430	0.000	1	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.2506	2.912	24	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Pd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0455	6.373	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0305	0.214	2	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{1|Zn<4>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0777	0.021	3	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4841	1.381	27	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9561	1.483	13	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9670	0.068	6	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1223	0.029	3	107.9096	2.824	154	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]CH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.0917	1.425	3	109.0917	2.031	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4687	0.079	3	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0140	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1140	0.014	3	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<3>,1|C<4>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2008	0.092	9	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9393	0.136	8	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|B<4>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5480	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8922	1.486	31	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|W<6>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2593	3.980	3	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3596	0.485	7	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6609	0.803	17	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3251	0.222	13	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ce<13>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2500	0.051	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<2>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.8890	2.052	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<3>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3520	0.109	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3447	0.078	3	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Fe<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6225	0.111	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3325	0.002	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3770	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ir<6>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5940	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Li<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8270	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mn<9>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2780	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Mo<6>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1740	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3362	0.079	5	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Pd<5>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3590	0.156	5	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Re<6>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0540	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<5>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2483	0.211	11	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<6>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3217	0.056	3	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<7>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5812	0.386	10	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<8>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3975	0.070	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ru<9>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3375	0.192	4	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4587	0.535	19	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Si<5>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5550	0.000	1	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Sm<14>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3645	1.312	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Ta<7>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9400	0.023	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<14>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7821	1.007	8	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|U<15>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.1575	3.387	4	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{1|Zn<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3767	0.174	3	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1600	0.016	2	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9546	0.700	5	108.2408	1.010	201	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]CH)(H)2{2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8825	0.155	2	107.8825	0.024	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8110	0.000	1	108.0770	0.049	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|B<4>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0550	0.127	4	108.0770	0.049	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4310	0.000	1	108.0770	0.049	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9613	0.258	3	107.9442	0.046	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)(C[6]S[6]HH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.000	1	107.9442	0.046	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|B<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2930	0.000	1	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.5637	0.712	4	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|Ga<5>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.000	1	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|In<5>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5490	0.013	2	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{1|Si<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4240	0.000	1	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3740	0.151	4	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HH)2(H)2{4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1700	0.059	4	108.4696	0.565	17	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HN)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1350	0.000	1	108.1350	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6]HO)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9797	0.188	3	107.9797	0.036	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6200	0.768	5	108.6200	0.590	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6,6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3840	0.000	1	108.3840	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3410	0.000	1	108.2810	0.007	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HH)(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2210	0.000	1	108.2810	0.007	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6,6a]HO)(C[6]O[6]CH)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8390	0.000	1	107.8390	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9423	0.047	4	107.9423	0.002	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1230	0.000	1	108.1230	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CC)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.9230	0.000	2	106.9230	0.000	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9020	0.000	1	108.4412	0.162	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2537	0.080	3	108.4412	0.162	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0060	0.000	1	108.4412	0.162	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]N[6]HH)(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.9780	0.000	1	108.4412	0.162	6	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CC)(H)2{2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3673	0.514	3	108.3673	0.265	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3960	0.000	1	107.9805	0.169	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0985	0.124	2	107.9805	0.169	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]CH)(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3290	0.000	1	107.9805	0.169	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3340	0.000	1	108.2613	0.006	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(H)2{1|C<3>,1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2250	0.071	2	108.2613	0.006	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.6640	0.000	1	106.6640	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CO)(C[6]S[6]HH)(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8800	0.000	1	107.8800	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CO)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]CO)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8620	0.000	1	107.8620	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CC)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2160	0.000	1	109.2160	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]CH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	110.4930	0.000	1	110.4930	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	111.2790	0.000	1	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7390	0.000	1	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8060	0.000	1	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6715	0.002	2	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9950	0.115	20	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0286	0.076	8	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1220	0.000	1	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]O[6]HH)(H)2{2|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9003	0.059	3	108.0573	0.314	37	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0433	0.032	3	108.1934	0.728	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5232	1.130	4	108.1934	0.728	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)(C[6]S[6]HH)(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3240	0.000	1	108.1934	0.728	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Al<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4350	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,1|C<3>,1|P<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.7360	0.491	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3845	0.050	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1880	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1964	0.749	34	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1130	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5730	0.906	5	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0770	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,1|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6055	0.497	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0800	0.434	54	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0455	0.689	29	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0466	1.119	15	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8747	0.115	7	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7177	0.964	8	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4080	0.404	9	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0700	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|C<4>,2|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0930	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Co<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3340	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cr<7>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.4400	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cr<8>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2520	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Cu<5>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1190	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Fe<6>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1710	0.187	3	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ga<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5020	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2590	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ir<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3720	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3940	0.000	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<5>,3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	105.2135	5.813	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Ni<6>,1|H<1>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9440	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<2>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8930	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0849	0.367	12	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|P<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8040	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2650	0.185	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Pd<4>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5630	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Re<6>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1560	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<3>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0750	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2995	0.163	2	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{1|Zn<4>,1|C<3>,1|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2700	0.000	1	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{2|Re<6>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9490	0.075	3	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6069	0.824	42	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HH)2(H)2{3|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2015	0.110	4	108.2118	0.671	259	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8005	0.305	2	107.8005	0.093	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1367	0.116	6	108.1623	0.012	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1742	0.112	13	108.1623	0.012	19	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3120	0.000	1	108.2346	0.004	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1933	0.032	3	108.2346	0.004	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6a]O[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.2810	0.000	1	108.2346	0.004	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)(C[6]O[6]CH)(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7370	0.061	3	107.7370	0.004	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CC)2(H)2{1|B<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2435	0.081	2	107.2435	0.007	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3095	0.317	19	108.2942	0.100	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(H)2{1|S<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0030	0.000	1	108.2942	0.100	20	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]O[6]HN)(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1006	0.037	5	108.1006	0.001	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1004	0.194	12	108.5022	2.328	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4078	2.725	6	108.5022	2.328	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|Re<6>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6160	0.000	1	108.5022	2.328	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]CH)2(H)2{1|S<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.6395	1.152	2	108.5022	2.328	21	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)(C[6]S[6]HH)(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.7930	0.000	1	108.7930	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|B<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0667	0.060	3	108.6161	6.269	60	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|B<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	112.8870	0.000	1	108.6161	6.269	60	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.5210	0.000	1	108.6161	6.269	60	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.8605	3.029	38	108.6161	6.269	60	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9206	0.217	16	108.6161	6.269	60	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]O[6]HH)2(H)2{2|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9290	0.000	1	108.6161	6.269	60	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[5,6]HH)(C[6]C[6]HH)(H)2{1|S<1>,2|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2670	2.882	2	107.2670	8.307	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Co<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0900	0.000	1	108.0690	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Pd<4>,3|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0480	0.000	1	108.0690	0.001	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)2(H)2{1|C<4>,2|O<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7110	0.000	1	107.8005	0.019	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)2(H)2{1|P<2>,4|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7808	0.126	6	107.8005	0.019	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]P[6]HH)2(H)2{5|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0080	0.000	1	107.8005	0.019	8	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)(C[6]S[6]HH)(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.6530	0.164	4	107.6530	0.027	4	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]CH)2(H)2{1|C<3>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5310	0.098	2	107.5310	0.010	2	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<3>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4800	0.000	1	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0893	4.388	34	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,1|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8352	1.114	9	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,2|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.0495	2.604	2	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>,4|O<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.2820	0.000	1	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7793	0.876	77	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|P<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	113.2280	3.858	2	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|Pd<4>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5320	0.071	2	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{1|Rh<8>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.8040	0.884	2	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]S[6]HH)2(H)2{2|Rh<8>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.7150	0.000	1	107.6890	6.295	131	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Se[6,6]HH)2(H)2{1|Ga<6>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.4090	0.047	3	107.3012	0.026	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6,6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Se[6,6]HH)2(H)2{1|In<6>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1395	0.104	2	107.3012	0.026	5	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Se[6]CH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Se[6]CH)2(H)2{1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3590	0.000	1	107.3590	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[5,5]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9910	0.000	1	107.9910	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8570	0.000	1	108.9150	0.840	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4520	0.000	1	108.9150	0.840	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[5,6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	109.4360	0.000	1	108.9150	0.840	3	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[5]N[6]H)(C[6]C[6]HH)(H)2{1|I<1>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8980	0.000	1	107.8980	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8375	0.128	2	107.6999	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.5503	0.089	4	107.6999	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8410	0.000	1	107.6999	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8160	0.000	1	107.6999	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)(C[6]C[6]HH)(H)2{2|Cl<1>,1|C<4>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7660	0.000	1	107.6999	0.026	9	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)2(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]HH)2(H)2{1|C<3>,4|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9750	0.000	1	107.9750	0.000	1	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Pd<3>,3|Si<4>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.0280	0.000	1	107.2434	0.014	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<2>,3|Si<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.2670	0.000	1	107.2434	0.014	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>,1|C<3>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1923	0.046	3	107.2434	0.014	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,2|Si<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1470	0.000	1	107.2434	0.014	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{1|Si<3>,3|Si<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.3167	0.112	7	107.2434	0.014	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]Si[6]Si2)(C[6]C[6]HH)(H)2{2|Si<3>,2|Si<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.1710	0.000	1	107.2434	0.014	14	108.0035	1.243	41119	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](C[6]N[6,6]HH)(N[6,6]C[6]3)(H)2{5|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9552	0.193	6	107.9552	0.037	6	107.9552	0.037	6	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8840	0.000	1	107.8840	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x3,4x5,14x6]HH)(N[6]Ga[3,3,5,5,7x6]CC)(H)2{1|C<4>,1|C<5>,5|B<6>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6340	0.000	1	107.6340	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0640	0.000	1	108.0960	0.002	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1280	0.000	1	108.0960	0.002	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[3x6]HH)(N[6]C[6,6]CN)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8730	0.000	1	107.8730	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6720	0.000	1	107.6720	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4487	2.023	10	107.4487	4.094	10	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,3x6]HH)(N[6]C[6,6]CO)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0550	0.000	1	108.0550	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,4x6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9952	0.127	4	107.9952	0.016	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9080	0.303	2	107.9080	0.092	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0030	0.000	1	108.0030	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]CH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6440	0.000	1	107.6440	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9920	0.000	1	107.9920	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0455	0.062	2	108.0455	0.004	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5,6]HO)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1940	0.000	1	108.1940	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|S<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0180	0.000	1	107.9565	0.008	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8950	0.000	1	107.9565	0.008	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0060	0.000	1	108.4586	1.248	11	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.6160	0.000	1	108.4586	1.248	11	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0175	0.102	4	108.4586	1.248	11	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.2890	0.000	1	108.4586	1.248	11	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1200	0.000	1	108.4586	1.248	11	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a,6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9813	0.064	3	108.4586	1.248	11	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[5a]C[6]H)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7050	0.000	1	107.7050	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CC)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2010	0.000	1	108.2010	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6,6]CH)(H)2{1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0640	0.000	1	108.0640	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3090	0.000	1	108.3813	0.209	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]CH)(H)2{1|H<1>,1|O<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4175	0.640	2	108.3813	0.209	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1040	0.000	1	108.1040	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(N[6]C[6]PdC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]CH)(N[6]C[6]PdC)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6520	0.000	1	108.6520	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[5]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1300	0.000	1	108.1300	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8550	0.000	1	107.8550	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8870	0.000	1	107.8870	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	101.6615	1.199	2	104.9240	14.681	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1865	0.173	2	104.9240	14.681	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6,6a]HO)(N[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1950	0.075	2	108.1950	0.006	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]BrH)(N[6]C[6]HS)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8980	0.000	1	107.8980	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CF)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6920	0.000	1	107.6920	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5870	2.343	2	108.7300	2.868	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5780	0.000	1	108.7300	2.868	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1680	0.000	1	108.7300	2.868	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9889	0.116	8	107.4630	3.609	24	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.3770	0.453	2	107.4630	3.609	24	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.8890	2.296	14	107.4630	3.609	24	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FF)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2548	0.811	6	108.2548	0.658	6	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]FH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9800	0.000	1	107.9800	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2860	1.444	2	108.4337	1.108	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7290	0.000	1	108.4337	1.108	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]B[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0520	0.000	1	108.0520	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2790	0.100	2	108.1724	0.007	8	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1368	0.043	6	108.1724	0.007	8	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8432	0.065	4	108.0572	0.028	12	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]BH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1642	0.058	8	108.0572	0.028	12	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6160	0.000	1	108.0372	0.712	40	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0480	0.852	39	108.0372	0.712	40	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0224	0.115	34	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4660	0.028	2	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5113	1.961	18	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1037	0.015	3	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5800	0.000	1	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2580	0.856	95	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0243	0.114	20	108.2184	0.827	173	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0792	0.303	5	108.0690	0.074	6	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0180	0.000	1	108.0690	0.074	6	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1191	0.087	10	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4420	0.000	1	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2132	0.578	71	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0300	0.000	1	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0560	0.000	1	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2220	0.000	1	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1329	0.091	9	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.0290	0.796	2	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|F<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1684	0.116	5	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1333	1.438	119	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5290	2.301	2	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9990	0.000	1	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1692	0.797	101	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.8960	0.000	1	108.1787	1.061	325	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4215	0.018	2	109.4215	0.000	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]HW)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]HW)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6905	0.040	2	107.6905	0.002	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(N[6]C[6]OU)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HH)(N[6]C[6]OU)(H)2{1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0215	0.077	2	108.0215	0.006	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HN)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2830	0.065	3	108.2830	0.004	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1930	0.000	1	108.9220	1.594	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.2865	1.546	2	108.9220	1.594	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6]HP)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9400	0.000	1	107.9400	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]FeC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]FeC)(H)2{1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4965	0.084	2	108.4965	0.007	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8470	0.000	1	107.9335	0.015	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]CH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0200	0.000	1	107.9335	0.015	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]C[6]H)(N[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0810	0.000	1	108.0810	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.4157	3.861	6	106.4157	14.904	6	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]H)(N[6]C[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0330	0.000	1	108.0330	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]C[6a]O[6]O)(N[6]C[6]CC)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.1180	0.720	2	110.1180	0.518	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[5,6]HH)(N[6]B[6]CH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9450	0.000	1	107.9450	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8090	0.153	2	107.7720	0.016	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6980	0.000	1	107.7720	0.016	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8990	0.000	1	108.6372	1.792	63	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6126	0.952	47	108.6372	1.792	63	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	116.4530	0.000	1	108.6372	1.792	63	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]CH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2144	0.637	14	108.6372	1.792	63	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9445	0.059	2	107.9027	0.007	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]2H)(H)2{3|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8190	0.000	1	107.9027	0.007	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4480	0.083	2	107.9439	0.291	50	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5150	0.000	1	107.9439	0.291	50	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9045	0.103	6	107.9439	0.291	50	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8252	0.128	5	107.9439	0.291	50	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8398	0.437	36	107.9439	0.291	50	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1828	0.609	124	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1285	0.045	2	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0970	0.115	4	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0225	0.094	2	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0960	0.079	2	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2924	1.045	76	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0690	0.000	1	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2800	0.000	1	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3454	0.814	42	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3304	0.927	133	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0570	0.000	1	108.2696	0.698	388	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CN)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9445	0.022	2	107.9445	0.000	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.5880	2.011	2	110.4083	6.197	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]CO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0490	0.000	1	110.4083	6.197	3	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2405	0.572	217	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5858	4.050	17	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3568	0.772	4	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3145	0.026	2	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	101.2590	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1982	0.119	6	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4250	2.216	3	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3070	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5774	1.329	32	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2494	1.759	789	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cd<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0460	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1720	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1500	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Co<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2680	0.027	2	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Cu<5>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0457	0.134	3	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2100	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3285	0.018	2	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Ni<6>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0979	0.138	13	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1290	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{1|Zn<4>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1860	0.000	1	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4471	1.491	40	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5097	0.950	112	108.2992	2.497	1250	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(N[6]C[6]HV)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]N[6]HH)(N[6]C[6]HV)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7965	0.043	2	107.7965	0.002	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.6580	0.252	2	109.6580	0.063	2	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]CH)(N[6]C[6]HH)(H)2{3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	112.5560	0.000	1	112.5560	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0380	0.000	1	108.2717	1.209	32	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CC)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2792	1.117	31	108.2717	1.209	32	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5487	1.274	105	108.5487	1.623	105	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CN)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.9458	2.321	4	109.9458	5.389	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CO)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1686	0.102	5	108.1686	0.010	5	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]CW)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]CW)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1608	0.061	4	108.1608	0.004	4	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5690	1.727	213	108.5637	2.930	217	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3350	0.260	3	108.5637	2.930	217	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]O[6]HH)(N[6]C[6]HH)(H)2{1|In<6>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1390	0.000	1	108.5637	2.930	217	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]S[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9731	0.081	7	107.9731	0.007	7	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](C[6]Si[6]HH)(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8460	0.000	1	107.8460	0.000	1	108.2855	1.895	2834	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:O[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	C[6](C[6]N[6]HH)(O[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]O[6]H)	H(C[6]C[6]O[6]H)	108.2027	0.039	3	108.2027	0.002	3	108.2027	0.002	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]C[6]HH)(P[6]C[6]OO)(H)2{1|P<4>,4|H<1>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.5715	0.081	2	107.5715	0.007	2	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]N[6]CC)(H)2{1|Ge<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	110.2540	0.000	1	110.2540	0.000	1	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2{1|Ge<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.1360	0.000	1	107.1525	0.001	2	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CC)(P[6]O[6]CW)(H)2{1|Si<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.1690	0.000	1	107.1525	0.001	2	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<5>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.5370	0.105	2	107.4182	0.025	5	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]O[6]CH)(P[6]O[6]CC)(H)2{1|In<6>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.3390	0.148	3	107.4182	0.025	5	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]B[6]CC)(H)2{1|B<3>,1|C<3>,2|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.8475	0.081	2	107.8475	0.007	2	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]C[6]3)(H)2{4|H<1>,7|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.5490	0.158	2	107.5490	0.025	2	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](C[6]P[6]HH)(P[6]C[6]CC)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.5560	0.311	2	107.5560	0.097	2	107.6686	0.527	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[5,6]HH)(S[6]C[6]OO)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8660	0.000	1	107.8660	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6]HH)(S[6]C[6]OO)(H)2{1|N<2>,2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0555	0.018	2	108.0555	0.000	2	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)2{4|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2800	0.118	4	108.2800	0.014	4	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|F<1>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.8040	0.000	1	107.8040	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]NO)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9115	0.110	2	107.9115	0.012	2	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0755	0.180	2	108.9887	5.260	6	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0190	0.000	1	108.9887	5.260	6	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2210	0.000	1	108.9887	5.260	6	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]C[6]OO)(H)2{1|S<4>,4|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	110.7705	4.089	2	108.9887	5.260	6	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]N[6]CO)(H)2{1|C<3>,1|H<1>,1|N<2>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1480	0.000	1	108.1480	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]HH)(S[6]N[6]OO)(H)2{1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.2330	0.000	1	108.2330	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]C[6]O[6]H)(S[6]C[6]NO)(H)2{1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9970	0.000	1	107.9970	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[5,6]HH)(S[6]C[5,6]OO)(H)2{1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.9280	0.000	1	107.9280	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6,6]HH)(S[6]N[6,6]OO)(H)2{3|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	111.2053	3.308	3	111.2053	10.943	3	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]N[6]HH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1730	0.000	1	108.1730	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]CH)(S[6]C[6]OO)(H)2{1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0930	0.000	1	108.0930	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]OO)(H)2{2|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.5150	0.000	1	108.5150	0.000	1	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]O[6]HH)(S[6]C[6]WW)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]O[6]HH)(S[6]C[6]WW)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.3727	0.365	4	109.3727	0.133	4	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]OO)(H)2{1|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.9380	1.411	3	108.9380	1.991	3	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]S[6]HH)(S[6]C[6]WW)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](C[6]S[6]HH)(S[6]C[6]WW)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.2594	0.535	10	109.2594	0.287	10	108.8897	2.016	43	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	C[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](C[6]Si[6]SiH)(Si[6]C[6]Cl2)(H)2{1|Si<4>,2|Cl<1>,1|C<4>,1|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.2145	0.817	2	108.2145	0.667	2	108.2145	0.667	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2	H(C[6]N[4,4,6]C[6]H)	H(C[6]N[4,4,6]C[6]H)	C[6](N[4,4,6]C[3x4]2C[6])(C[6]O[6]HH)(H)2{1|C<4>,1|C<6>,1|H<2>,3|H<1>}	H(C[6]N[4,4,6]C[6]H)	H(C[6]N[4,4,6]C[6]H)	109.4965	0.088	2	109.4965	0.008	2	109.4965	0.008	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.7385	0.104	4	107.7017	0.010	6	107.7510	0.014	11	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]B[4]C[4]C[6])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>,5|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.6280	0.047	2	107.7017	0.010	6	107.7510	0.014	11	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.7270	0.000	1	107.7270	0.000	1	107.7510	0.014	11	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6,6]B[4]C[6])(C[6]O[6]HH)(H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.7670	0.000	1	107.7670	0.000	1	107.7510	0.014	11	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]C[4,6]B[4]C[6])(C[6]C[6]HH)(H)2{2|C<3>,3|C<4>,5|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.6940	0.000	1	107.6940	0.000	1	107.7510	0.014	11	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	C[6](N[4,6]Ga[4]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,8|H<1>}	H(C[6]N[4,6]C[6]H)	H(C[6]N[4,6]C[6]H)	107.9315	0.078	2	107.9315	0.006	2	107.7510	0.014	11	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[4x6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2	H(C[6]N[4x6]C[6]H)	H(C[6]N[4x6]C[6]H)	C[6](N[4x6]C[3x6]C[6,6]2)(C[6]O[6]CO)(H)2{4|C<4>,5|H<1>}	H(C[6]N[4x6]C[6]H)	H(C[6]N[4x6]C[6]H)	107.7250	0.000	1	107.7250	0.000	1	107.7250	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2	H(C[6]N[5,5,6,6]C[6]H)	H(C[6]N[5,5,6,6]C[6]H)	C[6](N[5,5,6,6]C[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)2{2|C<3>,4|C<4>,4|H<1>}	H(C[6]N[5,5,6,6]C[6]H)	H(C[6]N[5,5,6,6]C[6]H)	107.9550	0.000	1	107.9550	0.000	1	107.9550	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,3x6]C[5]C[6])(C[6]C[6]HH)(H)2{1|N<3>,1|N<4>,2|C<4>,7|H<1>}	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	107.9448	0.148	5	107.9448	0.022	5	108.0106	0.028	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,5,4x6]C[5,6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	108.2180	0.000	1	108.2180	0.000	1	108.0106	0.028	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	C[6](N[5,6,6]C[5,6,6]Ge[5,6]H)(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	H(C[6]N[5,6,6]C[6]H)	H(C[6]N[5,6,6]C[6]H)	108.1320	0.000	1	108.1320	0.000	1	108.0106	0.028	7	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]B[5,5a]C[5,5]C[6])(C[6]C[6]HH)(H)2{1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8230	0.000	1	107.8230	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8740	0.000	1	107.8580	0.001	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,3x6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8420	0.000	1	107.8580	0.001	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]C)(C[6]N[5,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8115	0.019	2	107.8115	0.000	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6]N[6,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.7420	0.000	1	107.7420	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9450	0.000	1	108.0707	0.026	3	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1335	0.166	2	108.0707	0.026	3	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(H)2{1|O<2>,3|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8720	0.000	1	107.8720	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3020	0.000	1	108.3020	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0220	0.000	1	108.0220	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,6|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8987	0.106	6	108.0540	0.052	11	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.2730	0.000	2	108.0540	0.052	11	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{3|H<1>,5|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.9150	0.000	1	108.0540	0.052	11	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3705	0.077	2	108.0540	0.052	11	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]CH)(H)2{3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.3130	0.000	1	108.3130	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]C[5]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.0320	0.000	1	108.0320	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8870	0.000	1	107.8870	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5]2C[6])(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.6830	0.000	1	107.6830	0.000	1	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5]2C[6])(C[6]N[5,6]HH)(H)2{5|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8740	0.062	7	107.8740	0.004	7	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]C[5]C[6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	108.1085	0.015	2	108.1085	0.000	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|Ga<4>,1|N<3>,2|C<4>,6|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8840	0.000	1	107.8475	0.003	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]Ga[5]C[5]C[6])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<4>,7|H<1>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.8110	0.000	1	107.8475	0.003	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	C[6](N[5,6]In[5,5,6,6]O[5]C)(C[6]N[6]HH)(H)2{1|Ga<4>,1|N<4>,2|C<4>,2|O<3>}	H(C[6]N[5,6]C[6]H)	H(C[6]N[5,6]C[6]H)	107.5815	0.425	2	107.5815	0.181	2	107.9504	0.046	40	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[5a,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	C[6](N[5a,6]C[5a,6a]N[5a]C[6])(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6]H)	H(C[6]N[5a,6]C[6]H)	110.0380	0.800	2	110.0380	0.641	2	110.0380	0.641	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|S<2>,4|C<4>,8|H<1>}	H(C[6]C[5,6]N[6,6]H)	H(C[6]C[5,6]N[6,6]H)	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	109.3593	1.598	6	109.3593	2.552	6	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|N<4>,3|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.7520	0.000	1	108.1252	0.098	6	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<3>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.9995	0.079	4	108.1252	0.098	6	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	108.0010	0.000	1	108.1252	0.098	6	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Hg)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Hg)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.6210	0.000	1	107.6210	0.000	1	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Li)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Li)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.5408	0.176	6	107.5408	0.031	6	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Ni)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Ni)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.7605	0.141	2	107.7605	0.020	2	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,5|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	103.7280	0.511	2	106.5855	10.107	21	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	106.8863	3.196	19	106.5855	10.107	21	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Rh)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Rh)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.5030	0.000	1	107.5030	0.000	1	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Zn)(C[6,6]C[6,6]2H)(H)2	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6]Zn)(C[6,6]C[6,6]2H)(H)2{1|N<4>,4|C<4>,6|H<1>}	H(C[6]C[6,6]N[6,6]H)	H(C[6]C[6,6]N[6,6]H)	107.6372	0.065	4	107.6372	0.004	4	107.4392	5.571	47	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]Cr)(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8790	0.000	1	107.8790	0.000	1	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0643	0.041	4	108.0938	0.002	10	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,1|N<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0920	0.000	1	108.0938	0.002	10	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1095	0.028	2	108.0938	0.002	10	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]B[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1233	0.037	3	108.0938	0.002	10	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7627	0.042	3	107.7627	0.002	3	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7150	0.000	1	107.9556	0.023	5	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]C)(C[6]N[6,6]HH)(H)2{1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0157	0.080	4	107.9556	0.023	5	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|C<5>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3440	0.000	1	108.2353	0.043	3	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<4>,5|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3650	0.000	1	108.2353	0.043	3	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]N[6,6]HH)(H)2{1|N<4>,2|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9970	0.000	1	108.2353	0.043	3	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9375	0.183	4	107.9375	0.034	4	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]H)(C[6]N[5,6]HH)(H)2{1|N<3>,3|H<1>,4|C<4>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.3080	0.000	1	108.3080	0.000	1	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[3x6]C[6]O)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0290	0.000	1	108.0290	0.000	1	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]B)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2780	0.000	1	108.2780	0.000	1	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[5,6]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8710	0.020	2	107.8710	0.000	2	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0820	0.000	1	108.0820	0.000	1	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7070	0.000	1	107.7465	0.003	2	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7860	0.000	1	107.7465	0.003	2	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]C)(C[6]O[6]HH)(H)2{2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.9784	0.028	5	107.9784	0.001	5	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Cu)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	109.8496	2.237	7	109.8496	5.003	7	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[5a,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0295	0.062	8	108.0295	0.004	8	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2523	0.116	3	108.2403	0.010	4	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.2040	0.000	1	108.2403	0.010	4	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.1030	0.000	3	108.2401	1.159	18	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	111.2660	0.000	1	108.2401	1.159	18	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{1|Si<4>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	109.4630	1.571	2	108.2401	1.159	18	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8077	0.564	10	108.2401	1.159	18	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)2{4|C<4>,4|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8715	0.146	2	108.2401	1.159	18	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Hg)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Hg)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	108.0760	0.000	1	108.0760	0.000	1	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Li)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Li)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5160	0.264	8	107.5160	0.070	8	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Ni)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Ni)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.6625	0.327	2	107.6625	0.107	2	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Pd)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5208	2.381	29	107.5208	5.670	29	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Rh)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Rh)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.5295	0.144	2	107.5295	0.021	2	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]Zn)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6]C[6]Zn)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7663	0.196	7	107.7663	0.038	7	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6,6a]B[6]C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|C<3>,5|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.7490	0.104	4	107.7490	0.011	4	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{1|N<4>,3|C<4>,7|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8025	0.037	2	107.8237	0.004	6	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]C[6]HH)(H)2{3|C<4>,8|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8342	0.077	4	107.8237	0.004	6	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	C[6](N[6,6]C[6]3)(C[6]O[6]HH)(H)2{3|C<4>,6|H<1>}	H(C[6]N[6,6]C[6]H)	H(C[6]N[6,6]C[6]H)	107.8546	0.122	5	107.8546	0.015	5	107.9635	1.768	140	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2	H(C[6]B[6]N[6]H)	H(C[6]B[6]N[6]H)	C[6](N[6]B[6]Si2)(B[6]N[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	H(C[6]B[6]N[6]H)	H(C[6]B[6]N[6]H)	104.9035	1.491	2	104.9035	2.224	2	104.9035	2.224	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[3x3,3x5,12x6]C[6]Mo)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[3x3,3x5,12x6]C[6]Mo)(C[6]C[6]HH)(H)2{1|C<4>,1|C<6>,3|B<6>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9265	0.235	2	107.9265	0.055	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[5,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.8130	0.000	1	106.8130	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]CH)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4960	0.000	1	108.4960	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]B[6,6]HP)(C[6]C[6]HH)(H)2{1|F<1>,1|N<3>,1|N<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9380	0.000	1	107.9380	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.0635	3.603	2	109.4250	7.713	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3,6]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1480	0.000	1	109.4250	7.713	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3]C[6]H)(C[6]O[6]HH)(H)2{2|H<1>,4|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2490	0.105	3	108.2490	0.011	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[3x6]HH)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1500	0.000	1	108.1500	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9350	0.000	1	107.9350	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1890	0.032	3	107.8250	0.531	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5,6]HH)(C[6]C[6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.7330	0.000	1	107.8250	0.531	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2090	0.047	2	108.1252	0.009	5	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0693	0.071	3	108.1252	0.009	5	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1375	0.067	2	108.1740	0.006	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[5]C[6]H)(C[6]O[6]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2470	0.000	1	108.1740	0.006	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1450	0.000	1	108.1460	0.000	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CC)(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1470	0.000	1	108.1460	0.000	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7180	0.000	1	109.1045	0.299	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]CH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4910	0.000	1	109.1045	0.299	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7745	0.147	4	107.7745	0.022	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]C[6]H)(C[6]O[6]HH)(H)2{3|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1330	0.000	1	108.1330	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CuC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1950	0.000	1	108.1950	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]CuH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2972	0.067	11	108.2972	0.004	11	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.4840	0.000	1	108.9163	1.846	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]HH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1325	0.070	2	108.9163	1.846	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]Mn2)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]Mn2)(C[6]C[6]HH)(H)2{2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0370	0.000	1	108.0370	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]PdC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]PdC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1000	0.070	3	108.1000	0.005	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6]PdH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2540	0.000	1	108.2540	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0820	0.041	2	108.0820	0.002	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Al2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9050	0.058	2	107.9050	0.003	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7914	0.082	10	107.7744	0.009	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6895	0.141	2	107.7744	0.009	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|Al<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5975	0.185	4	108.3886	3.138	19	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9014	0.080	5	108.3886	3.138	19	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.2147	3.637	3	108.3886	3.138	19	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9774	0.423	7	108.3886	3.138	19	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlC)(C[6]O[6]CH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6170	0.000	1	107.6170	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8745	0.066	2	107.8745	0.004	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlN)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]AlN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2155	0.050	2	108.2155	0.003	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]BiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]BiC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9393	0.104	11	107.9393	0.011	11	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9720	0.000	1	107.9720	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1201	0.103	9	108.1201	0.011	9	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CdH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CdH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1900	0.000	1	108.1900	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9870	0.000	1	107.9511	0.150	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9140	0.000	1	107.9511	0.150	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6077	0.072	3	107.9511	0.150	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4670	0.008	2	107.9511	0.150	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9243	0.046	3	107.9243	0.002	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8450	0.109	10	107.8450	0.012	10	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]CH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7790	0.000	1	107.7790	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8013	0.095	3	107.4746	1.501	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{1|Co<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1920	0.021	2	107.4746	1.501	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.2670	2.172	2	107.4746	1.501	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1465	0.053	2	108.1465	0.003	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CoH)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CoH)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7510	0.000	1	107.7510	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CrC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CrC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6820	0.000	1	107.6820	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.8050	0.000	1	109.3166	1.851	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.9018	0.881	6	109.3166	1.851	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]CH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.2120	0.000	1	106.2120	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7660	0.000	1	110.5947	21.677	35	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6210	0.000	1	110.5947	21.677	35	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.9513	4.839	31	110.5947	21.677	35	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]N[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9685	0.005	2	110.5947	21.677	35	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1695	0.614	12	108.1695	0.377	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1575	0.685	6	108.1575	0.469	6	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8757	0.279	6	107.8602	0.037	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{1|Cu<4>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8987	0.013	3	107.8602	0.037	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7907	0.032	3	107.8602	0.037	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]CuH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9782	0.102	18	107.9782	0.010	18	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]EuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]EuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1950	0.000	1	108.1950	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5885	0.129	2	107.5885	0.017	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3739	0.078	7	108.3739	0.006	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1793	0.585	9	108.1793	0.342	9	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]FeH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]FeH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5585	0.032	2	107.5585	0.001	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]GaH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.7645	0.960	2	109.7645	0.921	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]IrC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]IrC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8109	0.136	7	107.8109	0.019	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]IrH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8590	0.000	1	107.8590	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]IrH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]IrH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1345	0.032	2	108.1345	0.001	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Li2)(C[6]C[6]HH)(H)2{1|C<3>,1|O<3>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8075	0.094	2	107.8075	0.009	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]LiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.5184	3.641	8	109.5184	13.258	8	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MgC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7764	0.130	15	107.7764	0.017	15	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4880	0.109	3	108.4880	0.012	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0108	0.127	4	108.0108	0.016	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]MnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7235	0.083	2	107.7235	0.007	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]MoC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]MoC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9580	0.095	2	107.9580	0.009	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.2250	0.000	1	107.1131	4.127	8	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7366	0.150	5	107.1131	4.127	8	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]C[6]HH)(H)2{1|N<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	104.4985	2.954	2	107.1131	4.127	8	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.5170	0.000	1	108.3329	0.018	9	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]CH)(H)2{1|H<1>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.3099	0.123	8	108.3329	0.018	9	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9110	0.000	1	108.1987	0.193	24	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4860	0.000	1	108.1987	0.193	24	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6940	0.069	4	108.1987	0.193	24	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8150	0.174	12	108.1987	0.193	24	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6360	0.064	6	108.1987	0.193	24	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8916	0.129	18	107.8916	0.017	18	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.6640	0.021	2	109.1513	0.789	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1260	0.000	1	109.1513	0.789	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,1|H<2>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.6630	1.731	2	108.6803	1.149	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6920	0.011	2	108.6803	1.149	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]NiH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6840	0.073	3	108.6803	1.149	7	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]OsH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	94.3092	0.000	1	94.3092	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7455	0.074	2	107.6988	0.005	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6520	0.027	2	107.6988	0.005	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	111.1970	0.000	1	108.9053	3.939	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7595	0.025	2	108.9053	3.939	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8059	0.120	8	107.8059	0.014	8	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8900	0.069	5	107.8900	0.005	5	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.8470	0.000	1	109.8470	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PdH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PdH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0010	0.000	1	108.0010	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6772	0.129	21	107.6772	0.017	21	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtC)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7690	0.465	2	108.7690	0.216	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7210	0.154	2	107.7210	0.024	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8480	0.000	1	107.9181	0.002	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9245	0.045	11	107.9181	0.002	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.7497	0.747	3	108.7497	0.558	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]PtH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]PtH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7760	0.014	2	107.7760	0.000	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ReH)(C[6]C[6]CC)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ReH)(C[6]C[6]CC)(H)2{1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9480	0.000	1	107.9480	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]RhH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RhH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2970	0.000	1	108.2970	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]RhH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RhH)(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9760	0.000	1	107.9760	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	110.9630	0.000	1	108.1215	16.148	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]Ru2)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	105.2800	0.000	1	108.1215	16.148	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]RuC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RuC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.6840	0.107	14	107.6840	0.011	14	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]RuH)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9585	0.043	2	107.9585	0.002	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]SbC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9697	0.071	10	107.9697	0.005	10	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]SiB)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.6800	4.401	2	106.6800	19.369	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]TeC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]TeC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0525	0.110	2	108.0525	0.012	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]TiH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]TiH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8330	0.033	2	107.8330	0.001	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]TiN)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]TiN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	109.4437	0.046	6	109.4437	0.002	6	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9357	0.107	4	107.9357	0.012	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0880	0.078	3	108.0880	0.006	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9697	0.153	12	107.9697	0.023	12	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnC)(C[6]S[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnC)(C[6]S[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4190	0.000	1	107.4190	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7277	0.036	3	107.7277	0.001	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.7840	0.198	2	107.8350	0.027	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]N[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9370	0.000	1	107.8350	0.027	3	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6]ZnH)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.4612	2.008	9	108.4612	4.032	9	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]Al)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Al)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8220	0.000	1	107.8220	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]Al)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Al)(C[6]N[6]HH)(H)2{1|Al<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0157	0.122	4	108.0157	0.015	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Au)(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8465	0.122	2	107.8465	0.015	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]Cr)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.8117	0.246	9	107.8117	0.060	9	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.0805	0.105	2	108.1393	0.014	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1980	0.134	2	108.1393	0.014	4	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.6864	2.449	15	108.6248	5.279	17	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]H)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.1625	0.145	2	108.6248	5.279	17	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]C[6a]C[6]O)(C[6]N[6]HH)(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	106.0370	1.119	2	106.0370	1.251	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[4,6]CC)(C[6]C[6]HH)(H)2{2|Cl<1>,2|H<1>,2|N<3>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.4320	0.000	1	107.4320	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[6]CH)(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.9975	0.054	2	107.9975	0.003	2	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]Ga[6]CO)(C[6]N[6]HH)(H)2{1|O<2>,3|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	107.5800	0.000	1	107.5800	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	C[6](N[6]Nb[5x3,4,6]HH)(C[6]C[6]HH)(H)2{3|Cl<1>,1|N<3>,2|H<1>,5|C<4>}	H(C[6]C[6]N[6]H)	H(C[6]C[6]N[6]H)	108.2940	0.000	1	108.2940	0.000	1	108.2176	2.970	564	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]AlC)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]AlC)2(H)2{1|N<3>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	107.2670	0.000	1	107.2670	0.000	1	108.6711	0.251	31	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CuC)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]CuC)2(H)2{1|N<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.1711	0.133	8	108.1711	0.018	8	108.6711	0.251	31	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]MoC)2(H)2	H(C[6]N[6]2H)	H(C[6]N[6]2H)	C[6](N[6]C[6]MoC)2(H)2{1|N<4>,4|H<1>}	H(C[6]N[6]2H)	H(C[6]N[6]2H)	108.9167	0.317	22	108.9167	0.100	22	108.6711	0.251	31	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	C[6](N[6]C[6]CH)(P[6]O[6]OO)(H)2{1|H<1>,2|C<4>}	H(C[6]N[6]P[6]H)	H(C[6]N[6]P[6]H)	103.9990	0.000	1	103.9990	0.000	1	103.9990	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]C[5]S)(C[6]C[6]HH)(H)2{3|C<4>,5|H<1>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	112.9380	2.809	2	112.9380	7.888	2	111.2890	12.102	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	C[6](P[5,6]C[5,6]C[6a]C[5])(C[6]B[6]HH)(H)2{1|B<4>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]P[5,6]C[6]H)	H(C[6]P[5,6]C[6]H)	107.9910	0.000	1	107.9910	0.000	1	111.2890	12.102	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6]S)(C[6]C[6]HH)(H)2{2|C<4>,6|H<1>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	106.8475	1.668	2	106.8475	2.782	2	107.5724	0.666	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.6305	0.127	2	107.7915	0.101	4	107.5724	0.666	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]C[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.9525	0.428	2	107.7915	0.101	4	107.5724	0.666	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	C[6](P[6,6]S[6,6]C[6a]C[6])(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]P[6,6]C[6]H)	H(C[6]P[6,6]C[6]H)	107.8590	0.413	2	107.8590	0.171	2	107.5724	0.666	8	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Ru)(N[6]C[6]NiC)(H)2	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Ru)(N[6]C[6]NiC)(H)2{1|N<3>,1|N<4>,6|H<1>}	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	107.3410	0.000	1	107.3410	0.000	1	107.3412	0.006	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6,6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6,6]C[6,6]C[6]Ru)(N[6]C[6]ZnC)(H)2	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	C[6](P[6,6]C[6,6]C[6]Ru)(N[6]C[6]ZnC)(H)2{1|N<3>,1|N<4>,6|H<1>}	H(C[6]P[6,6]N[6]H)	H(C[6]P[6,6]N[6]H)	107.3413	0.086	4	107.3413	0.007	4	107.3412	0.006	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2B[6])(B[6]P[6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	107.8730	0.000	1	107.8730	0.000	1	107.2812	0.174	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2Ga[6])(B[6]C[6a]2C[6])(H)2{1|Ga<4>,1|I<1>,1|P<4>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	107.1280	0.099	2	107.1280	0.010	2	107.2812	0.174	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:B[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	C[6](P[6]C[6a]2Ge[6])(B[6]C[6a]2C[6])(H)2{1|C<4>,1|P<4>,2|H<1>,8|C<3>}	H(C[6]B[6]P[6]H)	H(C[6]B[6]P[6]H)	107.1385	0.499	2	107.1385	0.249	2	107.2812	0.174	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6,6]C[6a]2)(C[6]B[6]HH)(H)2{1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.5770	0.000	1	108.5770	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,7|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.6770	0.000	1	108.6770	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[5,6]C[6a]2)(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.8110	0.000	1	107.8110	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6]SeC)(C[6]C[6,6]HH)(H)2{2|H<1>,3|C<4>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.7320	0.000	1	107.7320	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(H)2{7|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.6200	0.072	2	108.6200	0.005	2	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]P[6]HH)(H)2{8|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	109.5040	1.030	2	109.5040	1.060	2	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]PtC)(C[6]C[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6]PtC)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.9472	0.292	4	107.9472	0.085	4	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2B[6])(C[6]C[6]CC)(H)2{1|P<4>,4|C<3>,4|H<1>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	109.7720	0.960	4	109.7720	0.922	4	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.5100	0.000	1	108.4095	0.055	4	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{1|H<1>,1|O<2>,7|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.2705	0.289	2	108.4095	0.055	4	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]B[6]HH)(H)2{8|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.5870	0.000	1	108.4095	0.055	4	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.5530	0.000	1	108.5530	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|Ga<4>,1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.6555	0.077	2	107.6555	0.006	2	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2C[6])(C[6]P[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.7840	0.000	1	107.7840	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2N[6])(C[6]B[6]HH)(H)2{1|O<2>,7|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.3020	0.000	1	107.3020	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2O[6])(C[6]C[6]HH)(H)2{1|B<4>,5|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.6370	0.000	1	108.6370	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]2P[6])(C[6]C[6]HH)(H)2{1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.6721	0.121	10	107.6721	0.015	10	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]B)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.5470	0.030	2	107.5470	0.001	2	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]B)(C[6]P[6]HH)(H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.8995	0.033	2	107.8995	0.001	2	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]Cr)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Cr)(C[6]P[6]HH)(H)2{1|Cr<6>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.6008	0.250	4	107.6008	0.062	4	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Fe)(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.8325	0.144	13	107.8325	0.021	13	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|B<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.5155	0.162	2	108.0507	0.208	6	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.2257	0.159	3	108.0507	0.208	6	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]H)(C[6]B[6]HH)(H)2{6|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.5960	0.000	1	108.0507	0.208	6	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]O)(C[6]C[6]HP)(H)2{1|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.3900	0.000	1	107.3900	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.0010	0.046	3	108.0010	0.002	3	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]C[6]Pt)(C[6]P[6]HH)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]C[6]Pt)(C[6]P[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	108.3480	0.147	3	108.3480	0.022	3	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	C[6](P[6]C[6a]O[6]O)(C[6]C[5,6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6]P[6]H)	H(C[6]C[6]P[6]H)	107.7750	0.000	1	107.7750	0.000	1	108.0775	0.424	71	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]OO)2(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]C[6]OO)2(H)2{1|C<4>,4|H<1>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	107.3680	0.000	1	107.4150	0.004	2	107.8080	0.239	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6]OO)2(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]C[6]OO)2(H)2{1|O<2>,4|H<1>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	107.4620	0.000	1	107.4150	0.004	2	107.8080	0.239	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2O[6])2(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]C[6a]2O[6])2(H)2{1|B<4>,8|C<3>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	108.4180	0.000	1	108.2010	0.094	2	107.8080	0.239	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	P[6]-4:P[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](P[6]C[6a]2O[6])2(H)2	H(C[6]P[6]2H)	H(C[6]P[6]2H)	C[6](P[6]C[6a]2O[6])2(H)2{1|Nb<6>,8|C<3>}	H(C[6]P[6]2H)	H(C[6]P[6]2H)	107.9840	0.000	1	108.2010	0.094	2	107.8080	0.239	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	C[6](S[6]C[6,6]OO)(C[6,6]C[6]3)(H)2{2|C<4>,3|S<4>,6|H<1>}	H(C[6]C[6,6]S[6]H)	H(C[6]C[6,6]S[6]H)	107.2528	0.126	5	107.2528	0.016	5	107.2528	0.016	5	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[3,6]OO)(C[6]O[6]HH)(H)2{3|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1760	0.000	1	108.1760	0.000	1	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[4,6]OO)(C[6]C[6]CN)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	107.2717	0.133	3	107.2717	0.018	3	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6]OO)(C[6]N[6]HH)(H)2{2|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1720	0.000	1	108.1720	0.000	1	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[5,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.1450	0.000	1	108.1450	0.000	1	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6]OO)(C[6]O[6]HH)(H)2{1|H<1>,2|C<4>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.0830	0.023	2	108.0830	0.001	2	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6,6a]OO)(C[6]C[6]HH)(H)2{1|H<1>,3|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.4555	0.054	2	109.4555	0.003	2	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6]Os2)(C[6]O[6]HH)(H)2{1|C<4>,2|H<1>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	109.3325	0.316	6	109.3325	0.100	6	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]CH)(H)2{4|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	108.6180	0.177	6	108.6180	0.031	6	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	C[6](S[6]C[6a]N[6]O)(C[6]C[6,6a]HN)(H)2{4|C<3>}	H(C[6]C[6]S[6]H)	H(C[6]C[6]S[6]H)	112.6320	0.000	1	112.6320	0.000	1	108.7704	1.244	23	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	S[6]-4:S[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](S[6]C[6]OO)2(H)2	H(C[6]S[6]2H)	H(C[6]S[6]2H)	C[6](S[6]C[6]OO)2(H)2{1|C<4>,4|H<1>}	H(C[6]S[6]2H)	H(C[6]S[6]2H)	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[5,6,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2	H(C[6]Si[5,6,6]C[6]H)	H(C[6]Si[5,6,6]C[6]H)	C[6](Si[5,6,6]C[5,6]2C[6])(C[6]C[6]CH)(H)2{2|Si<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]Si[5,6,6]C[6]H)	H(C[6]Si[5,6,6]C[6]H)	107.7853	0.052	3	107.7853	0.003	3	107.7853	0.003	3	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2	H(C[6]Si[5,6]C[6]H)	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]C[5,6a]2C[6])(C[6]Si[5,6]HH)(H)2{1|C<4>,2|H<1>,6|C<3>}	H(C[6]Si[5,6]C[6]H)	H(C[6]Si[5,6]C[6]H)	107.8045	0.018	2	107.8045	0.000	2	107.7578	0.014	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[5,6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2	H(C[6]Si[5,6]C[6]H)	H(C[6]Si[5,6]C[6]H)	C[6](Si[5,6]N[5,6]O[5]O)(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]Si[5,6]C[6]H)	H(C[6]Si[5,6]C[6]H)	107.7110	0.181	2	107.7110	0.033	2	107.7578	0.014	4	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[5,6]C[6a]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	104.2720	0.000	1	104.2720	0.000	1	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6,6a]CC)(C[6]Si[6]HH)(H)2{2|C<3>,2|C<4>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.8983	0.150	7	107.8983	0.023	7	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,1|C<2>,2|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.3120	0.000	1	107.3120	0.000	1	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]Cl2)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.3290	0.123	2	108.3290	0.015	2	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]N[5]2)(C[6]C[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.2805	0.354	2	108.2805	0.126	2	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]OO)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.8252	0.495	5	107.8252	0.245	5	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]Si2)(C[6]Si[6]HH)(H)2{2|Si<4>,1|C<4>,2|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.6515	0.098	4	107.6515	0.010	4	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6]SiH)(C[6]Si[6]CC)(H)2{1|C<3>,3|C<4>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.4400	0.000	1	107.4400	0.000	1	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]2C[6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.9055	0.179	2	107.9055	0.032	2	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]2C[6])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.8710	0.264	2	107.8710	0.070	2	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.0945	0.132	2	108.1505	0.022	4	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.0720	0.000	1	108.1505	0.022	4	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	108.3410	0.000	1	108.1505	0.022	4	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]P[6]CC)(C[6]C[6]HH)(H)2{1|Si<4>,2|C<3>,2|H<1>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.0370	0.178	2	107.0370	0.032	2	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	C[6](Si[6]Si[6]Si2)(C[6]Si[6]HH)(H)2{3|Si<4>,2|C<4>}	H(C[6]Si[6]C[6]H)	H(C[6]Si[6]C[6]H)	107.4135	0.132	2	107.4135	0.017	2	107.7234	0.508	35	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]CO)(N[6]N[6]CC)(H)2{1|C<3>}	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	107.5600	0.000	1	107.5600	0.000	1	107.3700	0.072	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	C[6](Si[6]O[6]ClC)(N[6]N[6]CC)(H)2{1|C<3>}	H(C[6]Si[6]N[6]H)	H(C[6]Si[6]N[6]H)	107.1800	0.000	1	107.1800	0.000	1	107.3700	0.072	2	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6]Cl2)2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]C[6]Cl2)2(H)2{1|Si<4>,3|H<1>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	102.0541	4.377	2	102.0541	19.157	2	106.9830	6.007	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]C)2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6]C)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	108.4998	1.169	6	108.4998	1.366	6	106.9830	6.007	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]Cl)2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6]Cl)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	107.0875	0.600	2	107.0875	0.360	2	106.9830	6.007	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]C[6a]C[6]O)2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]C[6a]C[6]O)2(H)2{1|Si<4>,4|C<3>,4|H<1>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	107.5257	0.107	3	107.5257	0.011	3	106.9830	6.007	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]Si[5,6]CC)2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]Si[5,6]CC)2(H)2{5|Si<4>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	106.7610	0.000	1	106.7610	0.000	1	106.9830	6.007	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	4:4:1:1:	4:	4:	Si[6]-4:Si[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6]Si[6,6]CC)2(H)2	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	C[6](Si[6]Si[6,6]CC)2(H)2{5|Si<4>}	H(C[6]Si[6]2H)	H(C[6]Si[6]2H)	106.5535	0.142	2	106.5535	0.020	2	106.9830	6.007	16	107.9889	1.288	58091	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:3:1:1:	4:	4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,2|C<3>,4|B<6>,4|H<1>}	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	107.7043	0.301	3	107.7043	0.091	3	107.8278	0.122	4	107.8278	0.122	4	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:3:1:1:	4:	4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,1|O<2>,2|C<3>,3|H<1>,4|B<6>}	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	108.1980	0.000	1	108.1980	0.000	1	107.8278	0.122	4	107.8278	0.122	4	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	B[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](B[6]C[6]ZrHH)(C[6]C[6]HH)(H)2	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	C[6](B[6]C[6]ZrHH)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]B[6]C[6]H)	H(C[6]B[6]C[6]H)	108.2050	0.076	3	108.2050	0.006	3	108.2050	0.006	3	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3,3,3x5,11x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2	H(C[6]C[3,3,3x5,11x6]C[6]H)	H(C[6]C[3,3,3x5,11x6]C[6]H)	C[6](C[3,3,3x5,11x6]B[3x3,3x5,8x6]B[3x3,3x5,9x6]B[5x3,5,5,8x6]B[5,5,6x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<6>,3|B<5>,5|H<1>}	H(C[6]C[3,3,3x5,11x6]C[6]H)	H(C[6]C[3,3,3x5,11x6]C[6]H)	108.0030	0.000	1	108.0030	0.000	1	108.0030	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3,3,4,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2	H(C[6]C[3,3,4,3x5,14x6]C[6]H)	H(C[6]C[3,3,4,3x5,14x6]C[6]H)	C[6](C[3,3,4,3x5,14x6]B[3x3,4,5,5,8x6]B[3x3,3x5,12x6]B[3,4,5,5,9x6]B[5x3,3x5,8x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,3|B<6>,5|H<1>}	H(C[6]C[3,3,4,3x5,14x6]C[6]H)	H(C[6]C[3,3,4,3x5,14x6]C[6]H)	107.8130	0.000	1	107.8130	0.000	1	107.8130	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3,6]-5:C[5,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]H[3]HH)(C[5,6]C[5a,6]S[5]2)(H)2	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	C[6](C[3,6]C[3,6]H[3]HH)(C[5,6]C[5a,6]S[5]2)(H)2{1|C<3>,2|C<4>,2|N<3>}	H(C[6]C[3,6]C[5,6]H)	H(C[6]C[3,6]C[5,6]H)	108.7960	0.000	1	108.7960	0.000	1	108.7960	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,13x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x3,3x5,13x6]C[6]H)	H(C[6]C[3x3,3x5,13x6]C[6]H)	C[6](C[3x3,3x5,13x6]B[4x3,3x5,12x6]B[4x3,3x5,13x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<2>,5|B<6>,5|H<1>}	H(C[6]C[3x3,3x5,13x6]C[6]H)	H(C[6]C[3x3,3x5,13x6]C[6]H)	107.6940	0.000	1	107.6940	0.000	1	107.6940	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3x3,3x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2	H(C[6]C[3x3,3x5,14x6]C[6]H)	H(C[6]C[3x3,3x5,14x6]C[6]H)	C[6](C[3x3,3x5,14x6]B[3x3,3x5,13x6]B[3x3,4x5,15x6]B[5x3,3x5,11x6]2)(C[6]C[6]HH)(H)2{1|B<5>,1|C<4>,4|B<6>,6|H<1>}	H(C[6]C[3x3,3x5,14x6]C[6]H)	H(C[6]C[3x3,3x5,14x6]C[6]H)	108.3110	0.000	1	108.3110	0.000	1	108.3110	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3x3,4x5,14x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2	H(C[6]C[3x3,4x5,14x6]C[6]H)	H(C[6]C[3x3,4x5,14x6]C[6]H)	C[6](C[3x3,4x5,14x6]B[4x3,5x5,19x6]B[5x3,3x5,14x6]B[5x3,3x5,15x6]C[3x3,4x5,13x6])(C[6]N[6]HH)(H)2{1|Ga<5>,2|C<4>,4|H<1>,5|B<6>}	H(C[6]C[3x3,4x5,14x6]C[6]H)	H(C[6]C[3x3,4x5,14x6]C[6]H)	107.8910	0.000	1	107.8910	0.000	1	107.8910	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2	H(C[6]C[3x3,5,5,12x6]C[6]H)	H(C[6]C[3x3,5,5,12x6]C[6]H)	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6]C[3x3,5,9x6])(C[6]C[6]HH)(H)2{1|B<5>,1|B<7>,1|C<4>,3|B<6>,5|H<1>}	H(C[6]C[3x3,5,5,12x6]C[6]H)	H(C[6]C[3x3,5,5,12x6]C[6]H)	107.5980	0.000	1	107.5980	0.000	1	107.5625	0.003	2	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3x3,5,5,12x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2	H(C[6]C[3x3,5,5,12x6]C[6]H)	H(C[6]C[3x3,5,5,12x6]C[6]H)	C[6](C[3x3,5,5,12x6]B[3x3,5,5,13x6]C[3,3,4,5,10x6]B[5x3,3x5,5x6]B[5x3,5,5,8x6])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,4|B<6>,5|H<1>}	H(C[6]C[3x3,5,5,12x6]C[6]H)	H(C[6]C[3x3,5,5,12x6]C[6]H)	107.5270	0.000	1	107.5270	0.000	1	107.5625	0.003	2	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[3x3,5,9x6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2	H(C[6]C[3x3,5,9x6]C[6]H)	H(C[6]C[3x3,5,9x6]C[6]H)	C[6](C[3x3,5,9x6]B[6x3,4x5,13x6]C[3x3,5,5,12x6]B[5x3,5,5,8x6]B[3x3,5,4x6])(C[6]C[6]HH)(H)2{1|C<4>,2|B<5>,4|B<6>,5|H<1>}	H(C[6]C[3x3,5,9x6]C[6]H)	H(C[6]C[3x3,5,9x6]C[6]H)	107.8690	0.000	1	107.8690	0.000	1	107.8690	0.000	1	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]EuH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]EuH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.6380	0.000	1	107.6380	0.000	1	107.4833	0.018	13	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]RaH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]RaH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4160	0.179	4	107.4160	0.032	4	107.4833	0.018	13	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]TiH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4974	0.112	7	107.4974	0.012	7	107.4833	0.018	13	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6,6]B[6,6]C[6]ZrH)(C[6]C[6]HH)(H)2	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	C[6](C[6,6]B[6,6]C[6]ZrH)(C[6]C[6]HH)(H)2{2|C<4>,2|H<2>,4|H<1>}	H(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6]H)	107.4990	0.000	1	107.4990	0.000	1	107.4833	0.018	13	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]COU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]COU)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7545	0.022	2	107.7545	0.000	2	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]CeHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8992	0.112	6	107.8992	0.012	6	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HHU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HHU)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3310	0.000	1	108.3310	0.000	1	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]HNU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]HNU)(C[6]C[6]HH)(H)2{1|C<4>,1|H<2>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.3720	0.000	1	108.3720	0.000	1	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]Li2C)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]Li2C)(C[6]C[6]HH)(H)2{1|C<4>,1|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7048	0.062	5	107.7048	0.004	5	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]NiCO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]NiCO)(C[6]C[6]HH)(H)2{1|C<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.9390	0.000	1	107.9390	0.000	1	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]TaHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]TaHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1960	0.000	1	108.1960	0.000	1	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]TiCO)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]TiCO)(C[6]C[6]HH)(H)2{2|C<4>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.7060	0.000	1	107.7060	0.000	1	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]TiHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.1167	0.110	3	108.1167	0.012	3	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0260	0.126	4	107.9476	0.022	7	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]C[6]ZrHN)(C[6]C[6]HH)(H)2{1|C<4>,4|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	107.8430	0.116	3	107.9476	0.022	7	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]HHU)(C[6]C[6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]HHU)(C[6]C[6]HH)(H)2{1|C<5>,2|H<1>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	108.0308	0.040	5	108.0308	0.002	5	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	C[6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[6]N[6]ZrHH)(C[6]C[6,6]HH)(H)2	H(C[6]C[6]2H)	H(C[6]C[6]2H)	C[6](C[6]N[6]ZrHH)(C[6]C[6,6]HH)(H)2{1|C<3>,1|C<4>}	H(C[6]C[6]2H)	H(C[6]C[6]2H)	106.8040	0.000	1	106.8040	0.000	1	107.9092	0.074	34	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	Nb[6,6]-5:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2	H(C[6]Nb[6,6]C[6]H)	H(C[6]Nb[6,6]C[6]H)	C[6](Nb[6,6]N[6,6]N[6]NO)(C[6]C[6,6a]CH)(H)2{5|C<3>}	H(C[6]Nb[6,6]C[6]H)	H(C[6]Nb[6,6]C[6]H)	106.7155	0.008	2	106.7155	0.000	2	106.7155	0.000	2	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2	H(C[6]Si[6,6]N[6]H)	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2Cl)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]Si[6,6]N[6]H)	H(C[6]Si[6,6]N[6]H)	107.2305	0.213	2	107.2305	0.045	2	107.1770	0.017	5	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	5:4:1:1:	4:	4:	Si[6,6]-5:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2	H(C[6]Si[6,6]N[6]H)	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2O)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]Si[6,6]N[6]H)	H(C[6]Si[6,6]N[6]H)	107.1413	0.081	3	107.1413	0.007	3	107.1770	0.017	5	107.7520	0.162	66	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:3:1:1:	4:	4:	C[3x3,3x5,13x6]-6:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.5316	0.008	9	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:3:1:1:	4:	4:	C[3x3,3x5,13x6]-6:C[6]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Ru)(C[6]C[6]H)(H)2	H(C[6]C[3x3,3x5,13x6]C[6]H)	H(C[6]C[3x3,3x5,13x6]C[6]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Ru)(C[6]C[6]H)(H)2{1|C<4>,4|H<1>,5|B<6>}	H(C[6]C[3x3,3x5,13x6]C[6]H)	H(C[6]C[3x3,3x5,13x6]C[6]H)	107.6110	0.045	4	107.6110	0.002	4	107.6110	0.002	4	107.5316	0.008	9	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:3:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6,6a]-3:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2	H(C[6]C[5x3,5x5,21x6]C[6,6a]H)	H(C[6]C[5x3,5x5,21x6]C[6,6a]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6,6a]H)	H(C[6]C[5x3,5x5,21x6]C[6,6a]H)	107.4740	0.057	4	107.4740	0.003	4	107.4740	0.003	4	107.5316	0.008	9	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[4,6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2C)(H)2	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2C)(H)2{2|C<3>,2|C<4>,4|H<1>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	H(C[6]C[5x3,5x5,21x6]C[4,6]H)	107.6800	0.044	2	107.6800	0.002	2	107.6800	0.002	2	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,5|B<6>,5|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	107.5920	0.000	1	107.6446	0.002	5	107.6215	0.015	10	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4B[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	107.6578	0.032	4	107.6446	0.002	5	107.6215	0.015	10	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6,6a]HH)(H)2{2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	107.8430	0.000	1	107.8430	0.000	1	107.6215	0.015	10	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]CH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,4|H<1>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	107.7130	0.000	1	107.7130	0.000	1	107.6215	0.015	10	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]HH)(H)2{1|C<4>,5|B<6>,6|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	107.4395	0.033	2	107.4395	0.001	2	107.6215	0.015	10	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	C[5x3,5x5,21x6]-6:C[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6]H)(H)2	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>,5|B<6>}	H(C[6]C[5x3,5x5,21x6]C[6]H)	H(C[6]C[5x3,5x5,21x6]C[6]H)	107.5570	0.000	1	107.5570	0.000	1	107.6215	0.015	10	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377
466	951	951	0:SP3_SP-NON_SP-NON	C[6]	H	H	6:4:1:1:	4:	4:	Si[6,6]-6:N[6]-4:H-1:H-1:	C[6]-4:	C[6]-4:	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2	H(C[6]Si[6,6]N[6]H)	H(C[6]Si[6,6]N[6]H)	C[6](Si[6,6]C[6]O[6]2Cl2)(N[6]N[6]CC)(H)2{1|N<4>,2|C<3>,2|H<1>}	H(C[6]Si[6,6]N[6]H)	H(C[6]Si[6,6]N[6]H)	107.1055	0.056	2	107.1055	0.003	2	107.1055	0.003	2	107.5561	0.048	14	108.0056	1.684	88230	108.0324	1.693	99377